Crystal structure of SPSB2 SPRY domain in complex with linear TAT peptide

entry_id	9rv5
deposition_date	2025-07-07
last_revision	2025-08-06
title	Crystal structure of SPSB2 SPRY domain in complex with linear TAT peptide
keywords	SPSB2, TAT Peptide, SPRY domain, SPRY domain-containing SOCS box protein 2, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

rg_guinier	26.24 Å
rg_electron	25.33 Å
i0	34102100.00
molecular_weight	44111.0 kDa
excluded_volume	54796 ų
envelope_volume	64667 ų
shell_volume	22730 ų
envelope_diameter	86.0 Å
shell_rg	30.86 Å
envelope_rg	25.21 Å
shape_rg	25.30 Å
total_rg	26.07 Å
total_atoms	3119
n_residues	403
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	83.4 Å
rg_real	26.41 Å
rg_real_error	0.63 Å
i0_real	3.4100e+07
i0_real_error	4.7060e+05
rg_reciprocal	26.36 Å
i0_reciprocal	34100000.0000
total_estimate	0.8554
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.6 Å
skewness	0.442
kurtosis	-0.599
angular_range	— – 0.3000 Å−1
current_alpha	0.0000
highest_alpha	8121000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.804; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.821; Smooth: 0.884

Unit Cell

length_a	40.470 Å
length_b	90.106 Å
length_c	57.817 Å
angle_alpha	90.00 °
angle_beta	97.47 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	1.750 Å
resolution_low	48.410 Å
r_factor	0.1727
r_work	0.1713
r_free	0.1989

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/rv/9rv5/pr_distribution.json
• pr_output /app/data/pr_computation/rv/9rv5/9rv5.pr.out
• pr_plot /app/data/visualization/pr_computation/rv/9rv5/9rv5_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/rv/9rv5/9rv5.dat
• saxs_fit /app/data/saxs_computation/rv/9rv5/9rv5.fit
• saxs_log /app/data/saxs_computation/rv/9rv5/9rv5.log
• saxs_plot /app/data/visualization/saxs_computation/rv/9rv5/9rv5_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/rv/9rv5/9rv5.fit
pddf	/app/data/pr_computation/rv/9rv5/9rv5.pr.out
profile	/app/data/saxs_computation/rv/9rv5/9rv5.dat