Crystal structure of PfaB from Shewanella baltica strain 6-42

Method: X-RAY DIFFRACTION D_max: 93.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ry8
deposition_date	2025-07-14
last_revision	2026-02-25
title	Crystal structure of PfaB from Shewanella baltica strain 6-42
keywords	Acyltransferase, polyketide synthase, fatty acid synthase, polyunsaturated fatty acid, DHA, EPA., LIPID BINDING PROTEIN; LIPID BINDING PROTEIN
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	29.20 Å
rg_electron	28.44 Å
i0	70693100.00
molecular_weight	66382.0 kDa
excluded_volume	83415 Å³
envelope_volume	106280 Å³
shell_volume	31928 Å³
envelope_diameter	101.1 Å
shell_rg	34.99 Å
envelope_rg	28.51 Å
shape_rg	28.40 Å
total_rg	29.23 Å
total_atoms	4665
n_residues	618
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	93.3 Å
rg_real	29.19 Å
rg_real_error	0.67 Å
i0_real	7.0690e+07
i0_real_error	1.1440e+06
rg_reciprocal	29.20 Å
i0_reciprocal	70690000.0000
total_estimate	0.9028
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	31.1 Å
skewness	0.283
kurtosis	-0.549
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	16040000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.934; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.936

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4. Crystallography & Experiment

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5. Entities & Polymer Info (1)

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6. Citations (1)

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length_a	81.870 Å
length_b	81.870 Å
length_c	210.983 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.900 Å
resolution_low	64.680 Å
r_factor	0.2336
r_work	0.2292
r_free	0.3188

description	PfaBs
formula_weight	78733.1 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	4666

Crystal structure of PfaB from Shewanella baltica strain 6-42

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (1)

Entity 1 polymer

Polymer

Source

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Shewanella baltica
ncbi_taxonomy_id	62322
host_organism	Escherichia coli BL21(DE3)

fit	/app/data/saxs_computation/ry/9ry8/9ry8.fit
pddf	/app/data/pr_computation/ry/9ry8/9ry8.pr.out
profile	/app/data/saxs_computation/ry/9ry8/9ry8.dat