SAXSdb — 9wpn

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

Carbon-nitrogen hydrolase family protein

Campylobacter jejuni

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–260 Chain B； UniProt 1–260	Not recorded	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；PEG 8000, NaCl, imidazole	Resolution 2.90 Å R-free 0.233
2	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 1–260 Chain D； UniProt 1–260	Not recorded	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；PEG 8000, NaCl, imidazole	Resolution 2.90 Å R-free 0.233
3	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain E； UniProt 1–260 Chain F； UniProt 1–260	Not recorded	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；PEG 8000, NaCl, imidazole	Resolution 2.90 Å R-free 0.233

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 9WPN	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
9WPO Crystal structure of the nitrilase superfamily protein CJ1056C from Campylobacter jejuni in space group P21 Deposited 2025-09-09	Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–260（260 aa） Chain B 1–260（260 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；PEG 8000, NaCl, imidazole	Resolution 2.30 Å R-free 0.246
9WPO Crystal structure of the nitrilase superfamily protein CJ1056C from Campylobacter jejuni in space group P21 Deposited 2025-09-09	Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 1–260（260 aa） Chain D 1–260（260 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；PEG 8000, NaCl, imidazole	Resolution 2.30 Å R-free 0.246

1 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	A0A5T0F3Q1_CAMJU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 7–266； UniProt 1–260 Author chain B； PDBConstruct 7–266； UniProt 1–260 Author chain C； PDBConstruct 7–266； UniProt 1–260 Author chain D； PDBConstruct 7–266； UniProt 1–260 Author chain E； PDBConstruct 7–266； UniProt 1–260 Author chain F； PDBConstruct 7–266； UniProt 1–260

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	9wpn
Deposition date deposition_date	2025-09-09
最后修订 last_revision	2025-10-08
Structure title title	Crystal structure of the nitrilase superfamily protein CJ1056C from Campylobacter jejuni in space group P212121
Keywords keywords	CJ1056C, Campylobacter jejuni, nitrilase, amidase, 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	44.79 Å
Radius of gyration Rg (electron density) rg_electron	45.09 Å
Forward intensity I(0) i0	388330000.00
Molecular weight molecular_weight	172320.0 kDa
Excluded volume excluded_volume	219590 Å³
Envelope volume envelope_volume	284590 Å³
Hydration-shell volume shell_volume	55670 Å³
Envelope diameter envelope_diameter	160.3 Å
Shell Rg shell_rg	45.91 Å
Envelope Rg envelope_rg	44.76 Å
Shape Rg shape_rg	45.07 Å
Total Rg total_rg	45.19 Å
Total atoms total_atoms	12185
Residues n_residues	1536
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	157.4 Å
Rg (real space) rg_real	45.14 Å
Rg uncertainty (real space) rg_real_error	1.67 Å
I(0) (real space) i0_real	3.8830e+08
I(0) uncertainty (real space) i0_real_error	7.0340e+06
Rg (reciprocal space) rg_reciprocal	44.79 Å
I(0) (reciprocal space) i0_reciprocal	388200000.0000
Solution quality estimate total_estimate	0.8260
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	45.0 Å
Skewness Skewness skewness	0.492
Kurtosis Kurtosis kurtosis	-0.369
Angular range angular_range	— – 0.1750 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	54440000.0000
Real-space data points n_real_points	36
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.760; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.734; Smooth: 0.719

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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8. Citations (1)

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Unit-cell length a length_a	80.829 Å
Unit-cell length b length_b	133.433 Å
Unit-cell length c length_c	152.811 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	24

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	orthorhombic

Resolution resolution	2.900 Å
Low-resolution limit resolution_low	29.910 Å
R factor r_factor	0.2002
R_work r_work	0.1985
R_free r_free	0.2333

Description description	Carbon-nitrogen hydrolase family protein
Molecular weight formula_weight	30993.9 kDa
Source method src_method	man
Copy count entity_count	6

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F
Atom count atom_count	12210

Crystal structure of the nitrilase superfamily protein CJ1056C from Campylobacter jejuni in space group P212121

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

Carbon-nitrogen hydrolase family 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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 water

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Campylobacter jejuni
NCBI Class编号 ncbi_taxonomy_id	197
宿主生物 host_organism	Escherichia coli BL21(DE3)

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	25

fit	/app/data/saxs_computation/wp/9wpn/9wpn.fit
pddf	/app/data/pr_computation/wp/9wpn/9wpn.pr.out
profile	/app/data/saxs_computation/wp/9wpn/9wpn.dat