SAXSdb — 3ajc

▼

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

Flagellar motor switch protein fliG

Thermotoga maritima

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 104–335	Fragment：FliG MC domain, UNP residues 104-335 Mutation：deletion of UNP residues 170-172	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；50% PEG 200, 0.1M Phospho-Citrate, 0.2M NaCl, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.30 Å R-free 0.240

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 3AJC	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1LKV Crystal Structure of the Middle and C-terminal Domains of the Flagellar Rotor Protein FliG Deposited 2002-04-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain X 104–335（232 aa） Fragment：RESIDUES 104-335	Not recorded	CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；298 K；Isopropanol, CaCl2, sodium acetate, pluronic F-68, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.80 Å R-free 0.280
1LKV Crystal Structure of the Middle and C-terminal Domains of the Flagellar Rotor Protein FliG Deposited 2002-04-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain X 104–335（232 aa） Fragment：RESIDUES 104-335	Not recorded	CA CALCIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；298 K；Isopropanol, CaCl2, sodium acetate, pluronic F-68, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.80 Å R-free 0.280
1QC7 T. MARITIMA FLIG C-TERMINAL DOMAIN Deposited 1999-05-18	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 235–335（101 aa） Fragment：FLIG-C Chain B 235–335（101 aa） Fragment：FLIG-C	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.2；286 K；ISOPROPANOL, pH 5.2, temperature 286K	Resolution 2.20 Å R-free 0.304
3SOH Architecture of the Flagellar Rotor Deposited 2011-06-30	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 117–193（77 aa） Fragment：middle domain (UNP residues 117-193)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 6.5；0.1 M MES, pH 6.5, 10% dioxane, 1.6 M ammonium sulfate, EVAPORATION	Resolution 3.50 Å R-free 0.301
3SOH Architecture of the Flagellar Rotor Deposited 2011-06-30	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 117–193（77 aa） Fragment：middle domain (UNP residues 117-193)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 6.5；0.1 M MES, pH 6.5, 10% dioxane, 1.6 M ammonium sulfate, EVAPORATION	Resolution 3.50 Å R-free 0.301
4FHR Crystal structure of the complex between the flagellar motor proteins FliG and FliM. Deposited 2012-06-06	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 115–327（213 aa） Fragment：Middle and C-terminal domains. UNP residues 115-327	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM calcium acetate, 0.1 M sodium cacodylate pH 6.0, and 25% v/v MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.93 Å R-free 0.243
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 10 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain N 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 11 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain P 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain J 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain R 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain T 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain V 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
4QRM crystal structure of a binary complex of FliM-FliG middle domains from T.maritima Deposited 2014-07-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 9 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain L 117–187（71 aa） Fragment：Middle domain, Chain B, D, F, H, J, L, N, P, R, T, V	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M imidazole, pH 6.5, 1.2 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 4.32 Å R-free 0.291
5TDY Structure of cofolded FliFc:FliGn complex from Thermotoga maritima Deposited 2016-09-20	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–98（98 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；Wild Type: 100 mM HEPES pH 7.5, 25% (w/v) PEG3000, 200 mM sodium chloride Selenomethionine: 100 mm imidazole pH 7.2, 30% (w/v) PEG8000, 130 mM sodium chloride	Resolution 2.10 Å R-free 0.217
5TDY Structure of cofolded FliFc:FliGn complex from Thermotoga maritima Deposited 2016-09-20	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 1–98（98 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；Wild Type: 100 mM HEPES pH 7.5, 25% (w/v) PEG3000, 200 mM sodium chloride Selenomethionine: 100 mm imidazole pH 7.2, 30% (w/v) PEG8000, 130 mM sodium chloride	Resolution 2.10 Å R-free 0.217
5TDY Structure of cofolded FliFc:FliGn complex from Thermotoga maritima Deposited 2016-09-20	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1–98（98 aa） Chain D 1–98（98 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；Wild Type: 100 mM HEPES pH 7.5, 25% (w/v) PEG3000, 200 mM sodium chloride Selenomethionine: 100 mm imidazole pH 7.2, 30% (w/v) PEG8000, 130 mM sodium chloride	Resolution 2.10 Å R-free 0.217
5TDY Structure of cofolded FliFc:FliGn complex from Thermotoga maritima Deposited 2016-09-20	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1–98（98 aa） Chain D 1–98（98 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；Wild Type: 100 mM HEPES pH 7.5, 25% (w/v) PEG3000, 200 mM sodium chloride Selenomethionine: 100 mm imidazole pH 7.2, 30% (w/v) PEG8000, 130 mM sodium chloride	Resolution 2.10 Å R-free 0.217

6 other PDB entries and 21 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	FLIG_THEMA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–229； UniProt 104–335

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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	3ajc
Deposition date deposition_date	2010-05-27
Structure title title	Structure of the MC domain of FliG (PEV), a CW-biased mutant
Keywords keywords	chemotaxis, flagellum, flagellar motor, structural protein; STRUCTURAL PROTEIN
Experimental Method method	X-RAY DIFFRACTION

▼

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

Radius of gyration Rg (Guinier) rg_guinier	21.13 Å
Radius of gyration Rg (electron density) rg_electron	20.33 Å
Forward intensity I(0) i0	9864710.00
Molecular weight molecular_weight	23892.0 kDa
Excluded volume excluded_volume	30286 Å³
Envelope volume envelope_volume	38192 Å³
Hydration-shell volume shell_volume	16377 Å³
Envelope diameter envelope_diameter	67.1 Å
Shell Rg shell_rg	25.80 Å
Envelope Rg envelope_rg	20.38 Å
Shape Rg shape_rg	20.34 Å
Total Rg total_rg	21.16 Å
Total atoms total_atoms	1678
Residues n_residues	210
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

▼

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

Maximum dimension Dmax dmax	68.2 Å
Rg (real space) rg_real	21.13 Å
Rg uncertainty (real space) rg_real_error	0.46 Å
I(0) (real space) i0_real	9.8650e+06
I(0) uncertainty (real space) i0_real_error	1.2790e+05
Rg (reciprocal space) rg_reciprocal	21.13 Å
I(0) (reciprocal space) i0_reciprocal	9865000.0000
Solution quality estimate total_estimate	0.8967
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	22.1 Å
Skewness Skewness skewness	0.293
Kurtosis Kurtosis kurtosis	-0.516
Angular range angular_range	— – 0.3750 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1606000.0000
Real-space data points n_real_points	69
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.902; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.982

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (2)

▼

7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d3ajca_
Class class	a — All alpha proteins
Fold Fold fold	a.118 — alpha-alpha superhelix
Superfamily Superfamily superfamily	a.118.14 — FliG
Family Family family	a.118.14.1 — FliG

CATH v4.4 (2 domains)

Domain ID domain_id	3ajcA01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	220 — Annexin V; domain 1
Homologous superfamily homologous superfamily	30 — Flagellar motor switch protein FliG, alpha-alpha superhelical domain

Domain ID domain_id	3ajcA02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	220 — Annexin V; domain 1
Homologous superfamily homologous superfamily	30 — Flagellar motor switch protein FliG, alpha-alpha superhelical domain

▶

8. Citations (1)

▶

Unit-cell length a length_a	93.150 Å
Unit-cell length b length_b	93.150 Å
Unit-cell length c length_c	48.390 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 62
Space-group number int_tables_number	171
Crystal system crystal_system	—

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	33.560 Å
R factor r_factor	0.2240
R_work r_work	0.2240
R_free r_free	0.2400

Description description	Flagellar motor switch protein fliG
Molecular weight formula_weight	26047.2 kDa
Mutation mutation	deletion of UNP residues 170-172
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1792

Structure of the MC domain of FliG (PEV), a CW-biased mutant

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

Flagellar motor switch protein fliG

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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 water

7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Thermotoga maritima
NCBI Class编号 ncbi_taxonomy_id	2336
宿主生物 host_organism	Escherichia coli

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	114

fit	/app/data/saxs_computation/aj/3ajc/3ajc.fit
pddf	/app/data/pr_computation/aj/3ajc/3ajc.pr.out
profile	/app/data/saxs_computation/aj/3ajc/3ajc.dat