VCB in complex with VHL-binding compound 114

entry_id	9qe4
deposition_date	2025-03-07
title	VCB in complex with VHL-binding compound 114
keywords	protac, degrader, complex, e3 ligase, vhl, vcb, ligase; LIGASE
method	X-RAY DIFFRACTION

rg_guinier	41.70 Å
rg_electron	41.16 Å
i0	669130000.00
molecular_weight	141420.0 kDa
excluded_volume	136880 ų
envelope_volume	282290 ų
shell_volume	57141 ų
envelope_diameter	134.0 Å
shell_rg	47.48 Å
envelope_rg	39.28 Å
shape_rg	41.15 Å
total_rg	41.44 Å
total_atoms	10665
n_residues	1319
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	128.5 Å
rg_real	41.51 Å
rg_real_error	0.96 Å
i0_real	6.6910e+08
i0_real_error	1.2010e+07
rg_reciprocal	41.70 Å
i0_reciprocal	669300000.0000
total_estimate	0.6533
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	57.5 Å
skewness	0.070
kurtosis	-0.413
angular_range	— – 0.1900 Å−1
current_alpha	0.0000
highest_alpha	16230000.0000
n_real_points	39
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 0.008; Positv: 1.000; Valcen: 0.982; Smooth: 0.796

Unit Cell

length_a	94.095 Å
length_b	94.095 Å
length_c	365.561 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

Symmetry

space_group	P 41 2 2
int_tables_number	91
crystal_system	tetragonal

Refinement

resolution	2.280 Å
resolution_low	49.210 Å
r_factor	0.2484
r_work	0.2472
r_free	0.3012

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/qe/9qe4/pr_distribution.json
• pr_output /app/data/pr_computation/qe/9qe4/9qe4.pr.out
• pr_plot /app/data/visualization/pr_computation/qe/9qe4/9qe4_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/qe/9qe4/9qe4.dat
• saxs_fit /app/data/saxs_computation/qe/9qe4/9qe4.fit
• saxs_log /app/data/saxs_computation/qe/9qe4/9qe4.log
• saxs_plot /app/data/visualization/saxs_computation/qe/9qe4/9qe4_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/qe/9qe4/9qe4.fit
pddf	/app/data/pr_computation/qe/9qe4/9qe4.pr.out
profile	/app/data/saxs_computation/qe/9qe4/9qe4.dat