Simkania negevensis CE-clan virulence factor SnCE1 in complex with hsSUMO1

entry_id	9qtg
deposition_date	2025-04-08
title	Simkania negevensis CE-clan virulence factor SnCE1 in complex with hsSUMO1
keywords	cysteine protease, CE-clan, Ubl protease, deSUMOylase, SUMO pathway, virulence factor, bacterial virulence, pathogenesis, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

rg_guinier	20.85 Å
rg_electron	19.83 Å
i0	18228700.00
molecular_weight	33481.0 kDa
excluded_volume	42317 ų
envelope_volume	48387 ų
shell_volume	20620 ų
envelope_diameter	73.1 Å
shell_rg	26.25 Å
envelope_rg	20.20 Å
shape_rg	19.76 Å
total_rg	20.94 Å
total_atoms	4690
n_residues	279
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	73.3 Å
rg_real	20.81 Å
rg_real_error	0.53 Å
i0_real	1.8230e+07
i0_real_error	2.3590e+05
rg_reciprocal	20.82 Å
i0_reciprocal	18230000.0000
total_estimate	0.7825
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.4 Å
skewness	0.336
kurtosis	-0.228
angular_range	— – 0.3800 Å−1
current_alpha	0.0000
highest_alpha	4582000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.730; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.000

Unit Cell

length_a	34.967 Å
length_b	56.164 Å
length_c	148.651 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	1.550 Å
resolution_low	37.190 Å
r_factor	—
r_work	0.1534
r_free	0.2163

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/qt/9qtg/pr_distribution.json
• pr_output /app/data/pr_computation/qt/9qtg/9qtg.pr.out
• pr_plot /app/data/visualization/pr_computation/qt/9qtg/9qtg_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/qt/9qtg/9qtg.dat
• saxs_fit /app/data/saxs_computation/qt/9qtg/9qtg.fit
• saxs_log /app/data/saxs_computation/qt/9qtg/9qtg.log
• saxs_plot /app/data/visualization/saxs_computation/qt/9qtg/9qtg_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/qt/9qtg/9qtg.fit
pddf	/app/data/pr_computation/qt/9qtg/9qtg.pr.out
profile	/app/data/saxs_computation/qt/9qtg/9qtg.dat