SAXSdb — 4ki2

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1. Protein Identity and Related Structures Protein Identity & Related Structures

RNA polymerase sigma factor

Thermus aquaticus

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein–DNA Monomer Protein × 1 DNA 2 PDB declaration: trimeric（3） Consistent with all polymer counts	Chain A； UniProt 92–332	Fragment：domains 2-3, (UNP residues 92-332)	;DNA (5'-D(TPGPTPAPCPAPAPTPGPGP*G)-3') ; × 2 K POTASSIUM ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；295.15 K；100 mM Tris, pH 8.5, 5% w/v PEG8000, 20% w/v PEG300, 10% v/v glycerol, 0.15% w/v mellitic acid, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K	Resolution 3.30 Å R-free 0.262
2	Protein–DNA Monomer Protein × 1 DNA 2 PDB declaration: trimeric（3） Consistent with all polymer counts	Chain B； UniProt 92–332	Fragment：domains 2-3, (UNP residues 92-332)	;DNA (5'-D(TPGPTPAPCPAPAPTPGPGP*G)-3') ; × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；295.15 K；100 mM Tris, pH 8.5, 5% w/v PEG8000, 20% w/v PEG300, 10% v/v glycerol, 0.15% w/v mellitic acid, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K	Resolution 3.30 Å R-free 0.262

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 4KI2	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1KU2 Crystal Structure of Thermus aquaticus RNA Polymerase Sigma Subunit Fragment Containing Regions 1.2 to 3.1 Deposited 2002-01-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 92–332（241 aa） Fragment：residues 92-332 Chain B 92–332（241 aa） Fragment：residues 92-332	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；MOPS, ammonium sulfate, magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.90 Å R-free 0.271
1KU3 Crystal Structure of Thermus aquaticus RNA Polymerase Sigma Subunit Fragment, Region 4 Deposited 2002-01-21	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 366–438（73 aa） Fragment：region 4 (residues 366-438)	Mutation：L386M	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；MES, ammonium sulfate, magnesium chloride, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.80 Å R-free 0.252
1KU7 Crystal Structure of Thermus aquatics RNA Polymerase SigmaA Subunit Region 4 Bound to-35 Element DNA Deposited 2002-01-21	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric	Chain A 366–438（73 aa） Fragment：region 4 (residues 366-438) Chain D 366–438（73 aa） Fragment：region 4 (residues 366-438)	Mutation：L386M Mutation：L386M	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；MES, PEG 4000, magnesium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.40 Å R-free 0.293
1L9U THERMUS AQUATICUS RNA POLYMERASE HOLOENZYME AT 4 A RESOLUTION Deposited 2002-03-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain H 92–438（347 aa） Fragment：RESIDUES 92-438	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；HEPES, sodium formate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.00 Å
1L9U THERMUS AQUATICUS RNA POLYMERASE HOLOENZYME AT 4 A RESOLUTION Deposited 2002-03-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain Q 92–438（347 aa） Fragment：RESIDUES 92-438	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；HEPES, sodium formate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.00 Å
1L9Z Thermus aquaticus RNA Polymerase Holoenzyme/Fork-Junction Promoter DNA Complex at 6.5 A Resolution Deposited 2002-03-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain H 1–438（438 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；ammonium sulfate, Tris, Magnesium chloride, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 6.50 Å
1RIO Structure of bacteriophage lambda cI-NTD in complex with sigma-region4 of Thermus aquaticus bound to DNA Deposited 2003-11-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 3 PDB declaration: pentameric	Chain H 366–438（73 aa） Fragment：Sigma region 4	Not recorded	CA CALCIUM ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；295 K；MPD, Sodium Acetate, calcium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 4.60	Resolution 2.30 Å R-free 0.254
3LES 2F5 Epitope scaffold ES2 Deposited 2010-01-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 93–271（179 aa） Fragment：UNP RESIDUES 93-271	Not recorded	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions 23% PEG 4000, 0.12 M (NH4)2SO4, 0.02 M ATP, VAPOR DIFFUSION, TEMPERATURE 293K	Resolution 2.77 Å R-free 0.260
3LES 2F5 Epitope scaffold ES2 Deposited 2010-01-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 93–271（179 aa） Fragment：UNP RESIDUES 93-271	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions 23% PEG 4000, 0.12 M (NH4)2SO4, 0.02 M ATP, VAPOR DIFFUSION, TEMPERATURE 293K	Resolution 2.77 Å R-free 0.260
3LEV HIV-1 antibody 2F5 in complex with epitope scaffold ES2 Deposited 2010-01-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 93–271（179 aa） Fragment：UNP RESIDUES 93-271	Not recorded	1PE PENTAETHYLENE GLYCOL × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；16% PEG 400, 2.8% PEG 3350, 0.1 M CH3COONA PH 5.5, 0.02 M ATP, VAPOR DIFFUSION, TEMPERATURE 293K	Resolution 2.50 Å R-free 0.253
3LEV HIV-1 antibody 2F5 in complex with epitope scaffold ES2 Deposited 2010-01-15	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 93–271（179 aa） Fragment：UNP RESIDUES 93-271	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；16% PEG 400, 2.8% PEG 3350, 0.1 M CH3COONA PH 5.5, 0.02 M ATP, VAPOR DIFFUSION, TEMPERATURE 293K	Resolution 2.50 Å R-free 0.253
3N97 RNA polymerase alpha C-terminal domain (E. coli) and sigma region 4 (T. aq. mutant) bound to (UP,-35 element) DNA Deposited 2010-05-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric	Chain A 366–438（73 aa） Fragment：sigma subunit region 4, residues 366-438 Chain D 366–438（73 aa） Fragment：sigma subunit region 4, residues 366-438	Mutation：L386M and 424-429 KYHESR replaced with RHPSR Mutation：L386M and 424-429 KYHESR replaced with RHPSR	ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；289.15 K；28% (w/v) PEG4000, 0.2 M ammonium acetate, 0.01 M sarcosine, 0.1 M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289.15K	Resolution 3.25 Å R-free 0.295
3UGO Crystal structure of RNA-polymerase sigma subunit domain 2 complexed with -10 promoter element ssDNA oligo (TACAAT) Deposited 2011-11-02	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Monomer；Protein × 1 PDB declaration: dimeric	Chain A 92–332（241 aa） Fragment：domain 2 (UNP residues 92-332)	Not recorded	K POTASSIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；5% PEG8000, 20% PEG300, 10% glycerol, 0.15% mellitic acid, 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.10 Å R-free 0.237
3UGP Crystal structure of RNA-polymerase sigma subunit domain 2 complexed with -10 promoter element ssDNA oligo (TATAAT) Deposited 2011-11-02	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Monomer；Protein × 1 PDB declaration: dimeric	Chain A 92–332（241 aa） Fragment：domain 2 (UNP residues 92-332)	Not recorded	K POTASSIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；5% PEG8000, 20% PEG300, 10% glycerol, 0.15% mellitic acid, 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.70 Å R-free 0.238
4XLN Crystal structure of T. aquaticus transcription initiation complex containing bubble promoter and RNA Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain F 92–438（347 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.00 Å R-free 0.315
4XLN Crystal structure of T. aquaticus transcription initiation complex containing bubble promoter and RNA Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain L 92–438（347 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.00 Å R-free 0.315
4XLP Crystal structure of T.aquaticus transcription initiation complex containing upstream fork promoter Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 92–438（347 aa） Fragment：unp residues 92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.00 Å R-free 0.297
4XLP Crystal structure of T.aquaticus transcription initiation complex containing upstream fork promoter Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain L 92–438（347 aa） Fragment：unp residues 92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.00 Å R-free 0.297
4XLQ Crystal structure of T.aquaticus transcription initiation complex containing upstream fork (-11 base-paired) promoter Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 92–438（347 aa） Fragment：unp residues 92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.60 Å R-free 0.281
4XLQ Crystal structure of T.aquaticus transcription initiation complex containing upstream fork (-11 base-paired) promoter Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain L 92–438（347 aa） Fragment：unp residues 92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.60 Å R-free 0.281
4XLR Crystal structure of T.aquaticus transcription initiation complex with CarD containing bubble promoter and RNA Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 7 PDB declaration: decameric	Chain F 92–438（347 aa） Fragment：unp residues 92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.30 Å R-free 0.310
4XLR Crystal structure of T.aquaticus transcription initiation complex with CarD containing bubble promoter and RNA Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Heteromer；Protein × 7 PDB declaration: decameric	Chain L 92–438（347 aa） Fragment：unp residues 92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.30 Å R-free 0.310
4XLS Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter. Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 7 PDB declaration: nonameric	Chain F 92–438（347 aa） Fragment：92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.01 Å R-free 0.272
4XLS Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter. Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein–DNA Heteromer；Protein × 7 PDB declaration: nonameric	Chain L 92–438（347 aa） Fragment：92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.01 Å R-free 0.272
4XLS Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter. Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 92–438（347 aa） Fragment：92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.01 Å R-free 0.272
4XLS Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter. Deposited 2015-01-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain L 92–438（347 aa） Fragment：92-438	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, magnesium chloride, Tris-HCl	Resolution 4.01 Å R-free 0.272
5TJG Thermus aquaticus delta1.1-sigmaA holoenzyme/downstream-fork promoter complex with an open clamp Deposited 2016-10-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: heptameric	Chain F 92–438（347 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M MES, pH 6.5, 50 mM MgCl2, 5-8% (w/v) polyethylene glycol, 10% (v/v) isopropanol	Resolution 2.60 Å R-free 0.262

17 other PDB entries and 27 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q9EZJ8_THEAQ
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain A； PDBConstruct 5–245； UniProt 92–332 Author chain B； PDBConstruct 5–245； UniProt 92–332

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	4ki2
Deposition date deposition_date	2013-05-01
Structure title title	Crystallographic analysis of an RNA-polymerase sigma-subunit fragment complexed with -10 promoter element ssDNA
Keywords keywords	;ssDNA, G-quartet, G-quadruplex, promoter recognition, promoter opening, transcription initiation, protein-DNA binding, ssDNA-binding, Transcription-DNA complex ;; Transcription/DNA
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	29.69 Å
Radius of gyration Rg (electron density) rg_electron	28.56 Å
Forward intensity I(0) i0	56729100.00
Molecular weight molecular_weight	53375.0 kDa
Excluded volume excluded_volume	64575 Å³
Envelope volume envelope_volume	89113 Å³
Hydration-shell volume shell_volume	27706 Å³
Envelope diameter envelope_diameter	97.7 Å
Shell Rg shell_rg	33.90 Å
Envelope Rg envelope_rg	28.22 Å
Shape Rg shape_rg	28.48 Å
Total Rg total_rg	29.32 Å
Total atoms total_atoms	3726
Residues n_residues	439
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	92.1 Å
Rg (real space) rg_real	29.77 Å
Rg uncertainty (real space) rg_real_error	0.77 Å
I(0) (real space) i0_real	5.6730e+07
I(0) uncertainty (real space) i0_real_error	8.8550e+05
Rg (reciprocal space) rg_reciprocal	29.74 Å
I(0) (reciprocal space) i0_reciprocal	56730000.0000
Solution quality estimate total_estimate	0.8862
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	27.8 Å
Skewness Skewness skewness	0.332
Kurtosis Kurtosis kurtosis	-0.669
Angular range angular_range	— – 0.2650 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	8514000.0000
Real-space data points n_real_points	54
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.944; Smooth: 0.791

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	;DNA (5'-D(TPGPTPAPCPAPAPTPGPGP*G)-3') ;
Molecular weight formula_weight	3413.2 kDa
Source method src_method	syn
Copy count entity_count	4

Polymer Polymer

Polymer type type	polydeoxyribonucleotide
Chain IDs strand_id	D,E,F,G
Atom count atom_count	3798

TGTACAATGGG

Entity 2 Entity 2 polymer

Description description	RNA polymerase sigma factor
Molecular weight formula_weight	28038.4 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B

GPHMTSDPVRQYLHEIGQVPLLTLEEEIDLARKVEEGMEAIKKLSEATGLDQELIREVVRAKILGTARIQKIPGLKEKPDPKTVEEVDGKLKSLPKELKRYLHIAREGEAARQHLIEANLRLVVSIAKKYTGRGLSFLDLIQEGNQGLIRAVEKFEYKRRFKFSTYATWWIRQAINRAIADQARTIRIPVHMVETINKLSRTARQLQQELGREPSYEEIAEAMGPGWDAKRVEETLKIAQEPVSL

来源 Source

来源生物 organism	Thermus aquaticus
NCBI Class编号 ncbi_taxonomy_id	271
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	POTASSIUM ION
Molecular weight formula_weight	39.1 kDa
Source method src_method	syn
Copy count entity_count	5

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7. Fold Classification (SCOP + CATH) 3 domains

CATH v4.4 (3 domains)

Domain ID domain_id	4ki2A00
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
Homologous superfamily homologous superfamily	1810 —

Domain ID domain_id	4ki2B01
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
Homologous superfamily homologous superfamily	1810 —

Domain ID domain_id	4ki2B02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily	10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

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8. Citations (1)

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Unit-cell length a length_a	118.110 Å
Unit-cell length b length_b	118.110 Å
Unit-cell length c length_c	200.845 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	48

Space group space_group	P 62 2 2
Space-group number int_tables_number	180
Crystal system crystal_system	—

Resolution resolution	3.300 Å
Low-resolution limit resolution_low	29.530 Å
R factor r_factor	0.2163
R_work r_work	0.2116
R_free r_free	0.2622

fit	/app/data/saxs_computation/ki/4ki2/4ki2.fit
pddf	/app/data/pr_computation/ki/4ki2/4ki2.pr.out
profile	/app/data/saxs_computation/ki/4ki2/4ki2.dat

Crystallographic analysis of an RNA-polymerase sigma-subunit fragment complexed with -10 promoter element ssDNA

1. Protein Identity and Related Structures Protein Identity & Related Structures

RNA polymerase sigma factor

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

7. Fold Classification (SCOP + CATH) 3 domains

CATH v4.4 (3 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)