HRAS complex with UM0140401 compound

entry_id	9pu1
deposition_date	2025-07-30
title	HRAS complex with UM0140401 compound
keywords	GTPase, Inhibitor, Macrocycle, SIGNALING PROTEIN, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	16.42 Å
rg_electron	15.33 Å
i0	15176600.00
molecular_weight	19250.0 kDa
excluded_volume	18411 ų
envelope_volume	28869 ų
shell_volume	15528 ų
envelope_diameter	53.5 Å
shell_rg	21.68 Å
envelope_rg	15.67 Å
shape_rg	15.30 Å
total_rg	16.19 Å
total_atoms	1452
n_residues	172
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	53.0 Å
rg_real	16.27 Å
rg_real_error	0.22 Å
i0_real	1.5180e+07
i0_real_error	1.5120e+05
rg_reciprocal	16.29 Å
i0_reciprocal	15180000.0000
total_estimate	0.6413
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	21.1 Å
skewness	0.086
kurtosis	-0.445
angular_range	— – 0.4850 Å−1
current_alpha	0.0000
highest_alpha	3349000.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.828; Stabil: 1.000; Sysdev: 0.287; Positv: 1.000; Valcen: 0.987; Smooth: 0.000

Unit Cell

length_a	68.307 Å
length_b	37.478 Å
length_c	63.004 Å
angle_alpha	90.00 °
angle_beta	103.62 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

Refinement

resolution	1.400 Å
resolution_low	61.230 Å
r_factor	0.1600
r_work	0.1588
r_free	0.1768

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/pu/9pu1/pr_distribution.json
• pr_output /app/data/pr_computation/pu/9pu1/9pu1.pr.out
• pr_plot /app/data/visualization/pr_computation/pu/9pu1/9pu1_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/pu/9pu1/9pu1.dat
• saxs_fit /app/data/saxs_computation/pu/9pu1/9pu1.fit
• saxs_log /app/data/saxs_computation/pu/9pu1/9pu1.log
• saxs_plot /app/data/visualization/saxs_computation/pu/9pu1/9pu1_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/pu/9pu1/9pu1.fit
pddf	/app/data/pr_computation/pu/9pu1/9pu1.pr.out
profile	/app/data/saxs_computation/pu/9pu1/9pu1.dat