Crystal Structure of Vibrio cholerae PilU, a PilT-dependent Retraction ATPase - Crystal Form 1.

Method: X-RAY DIFFRACTION D_max: 130.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q6m
deposition_date	2025-08-22
title	Crystal Structure of Vibrio cholerae PilU, a PilT-dependent Retraction ATPase - Crystal Form 1.
keywords	;Structural Genomics, Center for Structural Biology of Infectious Diseases, CSBID, PilU, PilT-dependent Retraction ATPase, MOTOR PROTEIN ;; MOTOR 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	43.21 Å
rg_electron	42.44 Å
i0	849375000.00
molecular_weight	235660.0 kDa
excluded_volume	293660 Å³
envelope_volume	417230 Å³
shell_volume	78339 Å³
envelope_diameter	132.8 Å
shell_rg	51.53 Å
envelope_rg	40.93 Å
shape_rg	42.44 Å
total_rg	42.84 Å
total_atoms	16537
n_residues	2107
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	130.7 Å
rg_real	42.95 Å
rg_real_error	0.72 Å
i0_real	8.4940e+08
i0_real_error	1.3340e+07
rg_reciprocal	43.21 Å
i0_reciprocal	849600000.0000
total_estimate	0.6058
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	63.6 Å
skewness	0.015
kurtosis	-0.653
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	192100000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.948; Stabil: 1.000; Sysdev: 0.016; Positv: 1.000; Valcen: 0.978; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	108.311 Å
length_b	133.732 Å
length_c	181.795 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.950 Å
resolution_low	29.570 Å
r_factor	0.2251
r_work	0.2230
r_free	0.2649

description	Twitching motility protein PilT
formula_weight	42949.9 kDa
src_method	man
entity_count	6

type	polypeptide(L)
strand_id	A,B,C,D,E,F
atom_count	16623

Crystal Structure of Vibrio cholerae PilU, a PilT-dependent Retraction ATPase - Crystal Form 1.

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Vibrio cholerae O1 biovar El Tor str. N16961
ncbi_taxonomy_id	243277
host_organism	Escherichia coli BL21(DE3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	86

fit	/app/data/saxs_computation/q6/9q6m/9q6m.fit
pddf	/app/data/pr_computation/q6/9q6m/9q6m.pr.out
profile	/app/data/saxs_computation/q6/9q6m/9q6m.dat