KRAS complex with UM0152533 compound

entry_id	9pvf
deposition_date	2025-08-01
title	KRAS complex with UM0152533 compound
keywords	GTPase, Inhibitor, Macrocycle, SIGNALING PROTEIN, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	37.45 Å
rg_electron	37.01 Å
i0	265819000.00
molecular_weight	123320.0 kDa
excluded_volume	149570 ų
envelope_volume	201560 ų
shell_volume	46305 ų
envelope_diameter	132.6 Å
shell_rg	42.14 Å
envelope_rg	36.57 Å
shape_rg	36.95 Å
total_rg	37.52 Å
total_atoms	16227
n_residues	1030
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	121.4 Å
rg_real	37.41 Å
rg_real_error	0.94 Å
i0_real	2.6580e+08
i0_real_error	4.5930e+06
rg_reciprocal	37.43 Å
i0_reciprocal	265800000.0000
total_estimate	0.8838
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	49.1 Å
skewness	0.270
kurtosis	-0.338
angular_range	— – 0.2100 Å−1
current_alpha	0.0000
highest_alpha	47780000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.885; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.829

Unit Cell

length_a	99.640 Å
length_b	99.640 Å
length_c	140.760 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

Symmetry

space_group	P 41
int_tables_number	76
crystal_system	tetragonal

Refinement

resolution	2.000 Å
resolution_low	40.660 Å
r_factor	0.1778
r_work	0.1758
r_free	0.2155

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/pv/9pvf/pr_distribution.json
• pr_output /app/data/pr_computation/pv/9pvf/9pvf.pr.out
• pr_plot /app/data/visualization/pr_computation/pv/9pvf/9pvf_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/pv/9pvf/9pvf.dat
• saxs_fit /app/data/saxs_computation/pv/9pvf/9pvf.fit
• saxs_log /app/data/saxs_computation/pv/9pvf/9pvf.log
• saxs_plot /app/data/visualization/saxs_computation/pv/9pvf/9pvf_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/pv/9pvf/9pvf.fit
pddf	/app/data/pr_computation/pv/9pvf/9pvf.pr.out
profile	/app/data/saxs_computation/pv/9pvf/9pvf.dat