;Crystal structure of the transmembrane domain of trimeric autotransporter adhesin AtaA in complex with the N-terminal domain of TpgA ;

entry_id	9vnj
deposition_date	2025-06-30
title	;Crystal structure of the transmembrane domain of trimeric autotransporter adhesin AtaA in complex with the N-terminal domain of TpgA ;
keywords	Outer membrane, Acinetobacter, CELL ADHESION; CELL ADHESION
method	X-RAY DIFFRACTION

rg_guinier	30.12 Å
rg_electron	30.90 Å
i0	10904400.00
molecular_weight	24693.0 kDa
excluded_volume	30776 ų
envelope_volume	42531 ų
shell_volume	14888 ų
envelope_diameter	123.2 Å
shell_rg	29.06 Å
envelope_rg	32.82 Å
shape_rg	30.78 Å
total_rg	31.07 Å
total_atoms	1716
n_residues	200
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	126.8 Å
rg_real	31.32 Å
rg_real_error	2.61 Å
i0_real	1.0900e+07
i0_real_error	2.1960e+05
rg_reciprocal	30.80 Å
i0_reciprocal	10900000.0000
total_estimate	0.6168
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	19.1 Å
skewness	0.942
kurtosis	0.257
angular_range	— – 0.2650 Å−1
current_alpha	0.0000
highest_alpha	770200.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.036; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.001; Smooth: 0.906

Unit Cell

length_a	61.939 Å
length_b	61.939 Å
length_c	428.920 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

Symmetry

space_group	H 3 2
int_tables_number	155
crystal_system	—

Refinement

resolution	2.600 Å
resolution_low	37.925 Å
r_factor	0.1969
r_work	0.1945
r_free	0.2441

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/vn/9vnj/pr_distribution.json
• pr_output /app/data/pr_computation/vn/9vnj/9vnj.pr.out
• pr_plot /app/data/visualization/pr_computation/vn/9vnj/9vnj_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/vn/9vnj/9vnj.dat
• saxs_fit /app/data/saxs_computation/vn/9vnj/9vnj.fit
• saxs_log /app/data/saxs_computation/vn/9vnj/9vnj.log
• saxs_plot /app/data/visualization/saxs_computation/vn/9vnj/9vnj_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/vn/9vnj/9vnj.fit
pddf	/app/data/pr_computation/vn/9vnj/9vnj.pr.out
profile	/app/data/saxs_computation/vn/9vnj/9vnj.dat