SAXSdb — 6dfl

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

Lipopolysaccharide core heptose(I) kinase RfaP

Pseudomonas aeruginosa

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 2–259	Non-standard monomer：Yes (specific site not provided by mmCIF)	Acyl carrier protein × 1 （B7MJ81） G9S S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；277 K；100mM HEPES pH 7.4, 5% Jeffamine M-600	Resolution 2.40 Å R-free 0.269

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.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence

UniProt name	RFAP_PSEAE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–259； UniProt 2–259

Acyl carrier protein

Escherichia coli

UniProt B7MJ81

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 3–74	Non-standard monomer：Yes (specific site not provided by mmCIF)	Lipopolysaccharide core heptose(I) kinase RfaP × 1 （Q9HUF7） G9S S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；277 K；100mM HEPES pH 7.4, 5% Jeffamine M-600	Resolution 2.40 Å R-free 0.269

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 6DFL	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
5KOF Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and Acyl Carrier Protein, AcpP Deposited 2016-06-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–78（78 aa） Chain D 1–78（78 aa）	Not recorded	6W5 [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；298 K；0.2 M Ammonium acetate, 0.1 M Sodium acetate pH 5.4, 20% PEG 4000	Resolution 2.40 Å R-free 0.229
5VCB Crystal structure of holo-(acyl-carrier-protein) synthase:holo(acyl-carrier-protein) complex from Escherichia Coli. Deposited 2017-03-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain d 2–78（77 aa） Chain e 2–78（77 aa） Chain f 2–78（77 aa）	Not recorded	PNS 4'-PHOSPHOPANTETHEINE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；100 mM Bis-Tris propane, pH 7.0 18-22% PEG 6k or 18-22% PEG 10k	Resolution 4.10 Å R-free 0.297
5VCB Crystal structure of holo-(acyl-carrier-protein) synthase:holo(acyl-carrier-protein) complex from Escherichia Coli. Deposited 2017-03-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain J 2–78（77 aa） Chain K 2–78（77 aa） Chain L 2–78（77 aa）	Not recorded	PNS 4'-PHOSPHOPANTETHEINE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；100 mM Bis-Tris propane, pH 7.0 18-22% PEG 6k or 18-22% PEG 10k	Resolution 4.10 Å R-free 0.297
5VCB Crystal structure of holo-(acyl-carrier-protein) synthase:holo(acyl-carrier-protein) complex from Escherichia Coli. Deposited 2017-03-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 2–78（77 aa） Chain Q 2–78（77 aa） Chain R 2–78（77 aa）	Not recorded	PNS 4'-PHOSPHOPANTETHEINE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；100 mM Bis-Tris propane, pH 7.0 18-22% PEG 6k or 18-22% PEG 10k	Resolution 4.10 Å R-free 0.297
5VCB Crystal structure of holo-(acyl-carrier-protein) synthase:holo(acyl-carrier-protein) complex from Escherichia Coli. Deposited 2017-03-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain D 2–78（77 aa） Chain E 2–78（77 aa） Chain F 2–78（77 aa）	Not recorded	PNS 4'-PHOSPHOPANTETHEINE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；100 mM Bis-Tris propane, pH 7.0 18-22% PEG 6k or 18-22% PEG 10k	Resolution 4.10 Å R-free 0.297
5VCB Crystal structure of holo-(acyl-carrier-protein) synthase:holo(acyl-carrier-protein) complex from Escherichia Coli. Deposited 2017-03-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain V 2–78（77 aa） Chain W 2–78（77 aa） Chain X 2–78（77 aa）	Not recorded	PNS 4'-PHOSPHOPANTETHEINE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；100 mM Bis-Tris propane, pH 7.0 18-22% PEG 6k or 18-22% PEG 10k	Resolution 4.10 Å R-free 0.297
5WGB Crystal Structure of the Human mitochondrial Cysteine Desulfurase in complex with ISD11 and E. coli ACP1 protein at 2.75A Deposited 2017-07-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 2–78（77 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 1 8Q1 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；285 K；0.1 M MES pH 6.5 0.3 M Ammonium Acetate 20 mM Calcium Acetate 20 mM CaCl2 19 % isopropanol	Resolution 2.75 Å R-free 0.255
5WKP Crystal Structure of the Human mitochondrial Cysteine Desulfurase in complex with ISD11 and Iron-Sulfur Cluster Scaffold Protein ISCU1, and E. coli ACP1 protein at 3.15A Deposited 2017-07-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 2–78（77 aa） Chain G 2–78（77 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 2 8Q1 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；285 K；0.1 M MES pH 7 15 % PEG 3350	Resolution 3.15 Å R-free 0.242
5WLW Crystal Structure of the Human Mitochondrial Cysteine Desulfurase with active Cysteine Loop within ISCU1 active site, coordinating Zn ion. Complexed with human ISD11 and E. coli ACP1 at 3.3A. Deposited 2017-07-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 2–78（77 aa） Chain G 2–78（77 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 2 8Q1 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate × 2 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；285 K；0.1 M MES pH 7.0 15 % PEG 3350	Resolution 3.32 Å R-free 0.255
6N3P Crosslinked AcpP=FabZ complex from E. coli Type II FAS Deposited 2018-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric	Chain G 2–78（77 aa） Chain H 2–78（77 aa） Chain I 2–78（77 aa） Chain J 2–78（77 aa） Chain K 2–78（77 aa） Chain L 2–78（77 aa）	Not recorded	XLN N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100 mM Bis-Tris pH 6.5, 200 mM MgCl2, 19% PEG 3350, 1:1 mix of 9.5 mg/mL protein and reservoir solution.	Resolution 2.50 Å R-free 0.257
6UXE Structure of the human mitochondrial desulfurase complex Nfs1-ISCU2(M140I)-ISD11 with E.coli ACP1 at 1.57 A resolution showing flexibility of N terminal end of ISCU2 Deposited 2019-11-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 2–78（77 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 2 GOL GLYCEROL × 12 EDO 1,2-ETHANEDIOL × 100 PEG DI(HYDROXYETHYL)ETHER × 22 PG4 TETRAETHYLENE GLYCOL × 4 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2 PGE TRIETHYLENE GLYCOL × 6 EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 2 8Q1 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 1PE PENTAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；288 K；0.1 M MES pH 6.0-6.5, 22% PEG400	Resolution 1.57 Å R-free 0.180
6W1D Structure of human mitochondrial complex Nfs1-ISCU2 (WT)-ISD11 with E.coli ACP1 at 1.8 A resolution (NIAU)2 Deposited 2020-03-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 2–78（77 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 2 GOL GLYCEROL × 12 EDO 1,2-ETHANEDIOL × 96 PEG DI(HYDROXYETHYL)ETHER × 22 PG4 TETRAETHYLENE GLYCOL × 4 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2 PGE TRIETHYLENE GLYCOL × 6 EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 2 8Q1 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 1PE PENTAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；288 K；0.1 M MES pH 6.0-6.5 22 % PEG 400	Resolution 1.79 Å R-free 0.189
6WI2 Structure of human mitochondrial complex Nfs1-ISCU2-ISD11 with E.coli ACP1 at 1.95 A resolution (NIAU)2. N-terminal mutation of ISCU2 (L35) traps Nfs1 Cys loop in the active site of ISCU2 without metal present. Deposited 2020-04-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 2–78（77 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 36 GOL GLYCEROL × 3 PEG DI(HYDROXYETHYL)ETHER × 10 PG4 TETRAETHYLENE GLYCOL × 2 ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 PGE TRIETHYLENE GLYCOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 1 8Q1 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；288 K；0.1 M MES pH 5.5 22.5 % PEG 400	Resolution 1.95 Å R-free 0.185
6WIH N-terminal mutation of ISCU2 (L35H36) traps Nfs1 Cys loop in the active site of ISCU2 without metal present. Structure of human mitochondrial complex Nfs1-ISCU2(L35H36)-ISD11 with E.coli ACP1 at 1.9 A resolution (NIAU)2. Deposited 2020-04-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 2–78（77 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 9 GOL GLYCEROL × 5 EDO 1,2-ETHANEDIOL × 38 PG4 TETRAETHYLENE GLYCOL × 2 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 1 PGE TRIETHYLENE GLYCOL × 3 EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 1 8Q1 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；288 K；0.1 M MES pH 5.5 22.5 % PEG 400	Resolution 1.90 Å R-free 0.186
7RTK Structure of the (NIAU)2 complex with N-terminal mutation of ISCU2 Y35D at 2.5 A resolution Deposited 2021-08-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 2–78（77 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 58 GOL GLYCEROL × 6 PG4 TETRAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 16 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2 PGE TRIETHYLENE GLYCOL × 6 EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 2 8Q1 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 1PE PENTAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；288 K；0.1 M MES pH 5.5 22.5 % PEG 400	Resolution 2.50 Å R-free 0.214
7SQI Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP Deposited 2021-11-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–78（78 aa） Chain D 1–78（78 aa）	Not recorded	NA SODIUM ION × 2 A7V N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；281 K；20% PEG 8000, 0.3 M sodium acetate, 0.1 M sodium cacodylate	Resolution 1.70 Å R-free 0.205
7SZ9 Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP Deposited 2021-11-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 2–78（77 aa） Chain D 2–78（77 aa）	Not recorded	NA SODIUM ION × 2 DJ5 N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；281 K；20% PEG 8000, 0.3 M sodium acetate, 0.1 M sodium cacodylate	Resolution 2.20 Å R-free 0.255
8DLE Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP Deposited 2022-07-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–78（78 aa）	Not recorded	PLP PYRIDOXAL-5'-PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 3 SWC N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；1.5 M ammonium sulfate	Resolution 2.30 Å R-free 0.246

14 other PDB entries and 18 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ACP_ECO45
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–72； UniProt 3–74

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	6dfl
Deposition date deposition_date	2018-05-15
Structure title title	WaaP in complex with acyl carrier protein
Keywords keywords	Bacterial sugar kinase, HYDROLASE; HYDROLASE
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	24.66 Å
Radius of gyration Rg (electron density) rg_electron	24.01 Å
Forward intensity I(0) i0	24933700.00
Molecular weight molecular_weight	37190.0 kDa
Excluded volume excluded_volume	46152 Å³
Envelope volume envelope_volume	56949 Å³
Hydration-shell volume shell_volume	21349 Å³
Envelope diameter envelope_diameter	88.2 Å
Shell Rg shell_rg	29.60 Å
Envelope Rg envelope_rg	24.39 Å
Shape Rg shape_rg	24.04 Å
Total Rg total_rg	24.62 Å
Total atoms total_atoms	2599
Residues n_residues	307
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	88.8 Å
Rg (real space) rg_real	24.94 Å
Rg uncertainty (real space) rg_real_error	0.86 Å
I(0) (real space) i0_real	2.4930e+07
I(0) uncertainty (real space) i0_real_error	4.1740e+05
Rg (reciprocal space) rg_reciprocal	24.88 Å
I(0) (reciprocal space) i0_reciprocal	24930000.0000
Solution quality estimate total_estimate	0.7312
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	24.0 Å
Skewness Skewness skewness	0.625
Kurtosis Kurtosis kurtosis	-0.026
Angular range angular_range	— – 0.3200 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	7140000.0000
Real-space data points n_real_points	64
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.630; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.613; Smooth: 0.000

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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	Lipopolysaccharide core heptose(I) kinase RfaP
Molecular weight formula_weight	30470.3 kDa
EC 编号 ec_number	2.7.1.-,2.7.10.2
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2599

MRLVLEEPFKRLWNGRDPFEAVEALQGKVYRELEGRRTLRTEVDGRGYFVKIHRGIGWGEIAKNLLTAKLPVLGARQEWQAIRRLHEAGVATMTAVAYGERGSDPARQHSFIVTEELAPTVDLEVFSQDWRERPPPPRLKRALVEAVARMVGDMHRAGVNHRDCYICHFLLHTDKPVSADDFRLSVIDLHRAQTRDATPKRWRNKDLAALYFSALDIGLTRRDKLRFLRTYFRRPLREILRDEAGLLAWMERKAEKLYE

来源 Source

来源生物 organism	Pseudomonas aeruginosa
NCBI Class编号 ncbi_taxonomy_id	287
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Acyl carrier protein
Molecular weight formula_weight	8079.7 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

TIEERVKKIIGEQLGVKQEEVTNNASFVEDLGADSLDTVELVMALEEEFDTEIPDEEAEKITTVQAAIDYIN

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
Molecular weight formula_weight	596.8 kDa
Source method src_method	syn
Copy count entity_count	1

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7. Fold Classification (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d6dflb_
Class class	a — All alpha proteins
Fold Fold fold	a.28 — Acyl carrier protein-like
Superfamily Superfamily superfamily	a.28.1 — ACP-like
Family Family family	a.28.1.1 — Acyl-carrier protein (ACP)

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8. Citations (1)

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Unit-cell length a length_a	92.023 Å
Unit-cell length b length_b	92.023 Å
Unit-cell length c length_c	99.172 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	6

Space group space_group	P 31 2 1
Space-group number int_tables_number	152
Crystal system crystal_system	—

Resolution resolution	2.396 Å
Low-resolution limit resolution_low	62.122 Å
R factor r_factor	0.2350
R_work r_work	0.2332
R_free r_free	0.2693

fit	/app/data/saxs_computation/df/6dfl/6dfl.fit
pddf	/app/data/pr_computation/df/6dfl/6dfl.pr.out
profile	/app/data/saxs_computation/df/6dfl/6dfl.dat

WaaP in complex with acyl carrier protein

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

Lipopolysaccharide core heptose(I) kinase RfaP

State in the Current Structure

Other States of the Same Protein in the Database

Acyl carrier protein

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

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

7. Fold Classification (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)