← Back to search

9ps9

High-resolution crystal structure of Vibrio cholerae NFeoB in the apo form in orthorhombic space group

Method: X-RAY DIFFRACTION D_max: 94.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9ps9
deposition_date	2025-07-25
last_revision	2026-06-03
title	High-resolution crystal structure of Vibrio cholerae NFeoB in the apo form in orthorhombic space group
keywords	FEO, iron, membrane protein, transporter, GTPase, NTPase, METAL TRANSPORT; METAL TRANSPORT
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	32.82 Å
rg_electron	31.58 Å
i0	235872000.00
molecular_weight	119070.0 kDa
excluded_volume	147970 Å³
envelope_volume	197960 Å³
shell_volume	49878 Å³
envelope_diameter	93.1 Å
shell_rg	40.74 Å
envelope_rg	30.73 Å
shape_rg	31.58 Å
total_rg	32.37 Å
total_atoms	8326
n_residues	1025
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

▼

3. P(r) Analysis (GNOM)

dmax	94.4 Å
rg_real	32.46 Å
rg_real_error	0.36 Å
i0_real	2.3590e+08
i0_real_error	3.4230e+06
rg_reciprocal	32.62 Å
i0_reciprocal	235900000.0000
total_estimate	0.9058
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	47.2 Å
skewness	-0.074
kurtosis	-0.605
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0000
highest_alpha	38470000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.949; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.963; Smooth: 0.963

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	Ferrous iron transport protein B
formula_weight	29349.6 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	9174

SKYQVLTVGNPNSGKTTLFNGLTGAKQQVGNWAGVTVEKKTGSFVHAGDEFSLTDLPGIYALDSGNDSNSIDESIASRAVLTHPADVIINVVDATCLERSLYMTLQLRELRRPMIVVLNKMDALKRERVHLDLKQLEAFLGCPVLALSANNKEQVRRFKEKLHKLLVQGIALKQIELHYGAEFESLIHELEPMFAEQAVSARALAIRALENDRLVINGLKEAERQNVEQRQHECQVDIDLLVANVRYTYLHELCTHVRRTE

Source

organism	Vibrio cholerae
ncbi_taxonomy_id	666
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	TRIFLUOROETHANOL
formula_weight	100.0 kDa
src_method	syn
entity_count	17

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	14

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	848

▶

6. Citations (1)

▶

length_a	96.483 Å
length_b	101.106 Å
length_c	301.610 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.850 Å
resolution_low	43.530 Å
r_factor	0.1776
r_work	0.1760
r_free	0.2073

fit	/app/data/saxs_computation/ps/9ps9/9ps9.fit
pddf	/app/data/pr_computation/ps/9ps9/9ps9.pr.out
profile	/app/data/saxs_computation/ps/9ps9/9ps9.dat