Crystal structure of C. difficile HsmR with DNA bound

entry_id	9vg2
deposition_date	2025-06-12
last_revision	2026-05-13
title	Crystal structure of C. difficile HsmR with DNA bound
keywords	MarR, TRANSCRIPTION; TRANSCRIPTION
method	X-RAY DIFFRACTION

rg_guinier	23.58 Å
rg_electron	22.43 Å
i0	47957700.00
molecular_weight	45688.0 kDa
excluded_volume	53752 ų
envelope_volume	67123 ų
shell_volume	25154 ų
envelope_diameter	76.8 Å
shell_rg	29.03 Å
envelope_rg	22.30 Å
shape_rg	22.43 Å
total_rg	23.13 Å
total_atoms	3150
n_residues	320
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	75.5 Å
rg_real	23.45 Å
rg_real_error	0.47 Å
i0_real	4.7960e+07
i0_real_error	6.9750e+05
rg_reciprocal	23.49 Å
i0_reciprocal	47960000.0000
total_estimate	0.7026
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	31.9 Å
skewness	0.152
kurtosis	-0.409
angular_range	— – 0.3350 Å−1
current_alpha	0.0000
highest_alpha	5307000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 0.154; Positv: 1.000; Valcen: 1.000; Smooth: 0.984

Unit Cell

length_a	130.935 Å
length_b	55.407 Å
length_c	65.793 Å
angle_alpha	90.00 °
angle_beta	96.55 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.200 Å
resolution_low	50.000 Å
r_factor	0.1836
r_work	0.1807
r_free	0.2392

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/vg/9vg2/pr_distribution.json
• pr_output /app/data/pr_computation/vg/9vg2/9vg2.pr.out
• pr_plot /app/data/visualization/pr_computation/vg/9vg2/9vg2_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/vg/9vg2/9vg2.dat
• saxs_fit /app/data/saxs_computation/vg/9vg2/9vg2.fit
• saxs_log /app/data/saxs_computation/vg/9vg2/9vg2.log
• saxs_plot /app/data/visualization/saxs_computation/vg/9vg2/9vg2_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/vg/9vg2/9vg2.fit
pddf	/app/data/pr_computation/vg/9vg2/9vg2.pr.out
profile	/app/data/saxs_computation/vg/9vg2/9vg2.dat