Crystal structure of MPXV A35R in complex with a neutralizing antibody MA42

entry_id	9udq
deposition_date	2025-04-07
last_revision	2026-04-15
title	Crystal structure of MPXV A35R in complex with a neutralizing antibody MA42
keywords	MPXV, A35R, neutralizing antibody, VIRAL PROTEIN/IMMUNE SYSTEM, VIRAL PROTEIN-IMMUNE SYSTEM complex; VIRAL PROTEIN/IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	34.07 Å
rg_electron	33.32 Å
i0	201927000.00
molecular_weight	111920.0 kDa
excluded_volume	139130 ų
envelope_volume	178400 ų
shell_volume	44236 ų
envelope_diameter	107.4 Å
shell_rg	40.62 Å
envelope_rg	32.72 Å
shape_rg	33.31 Å
total_rg	33.91 Å
total_atoms	7876
n_residues	1036
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	104.7 Å
rg_real	33.95 Å
rg_real_error	1.08 Å
i0_real	2.0190e+08
i0_real_error	3.9460e+06
rg_reciprocal	34.03 Å
i0_reciprocal	201900000.0000
total_estimate	0.9146
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	41.0 Å
skewness	0.122
kurtosis	-0.702
angular_range	— – 0.2300 Å−1
current_alpha	0.0000
highest_alpha	19620000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.973; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.969

Unit Cell

length_a	147.483 Å
length_b	185.993 Å
length_c	41.753 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

Refinement

resolution	2.820 Å
resolution_low	31.000 Å
r_factor	0.2162
r_work	0.2115
r_free	0.2752

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ud/9udq/pr_distribution.json
• pr_output /app/data/pr_computation/ud/9udq/9udq.pr.out
• pr_plot /app/data/visualization/pr_computation/ud/9udq/9udq_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ud/9udq/9udq.dat
• saxs_fit /app/data/saxs_computation/ud/9udq/9udq.fit
• saxs_log /app/data/saxs_computation/ud/9udq/9udq.log
• saxs_plot /app/data/visualization/saxs_computation/ud/9udq/9udq_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ud/9udq/9udq.fit
pddf	/app/data/pr_computation/ud/9udq/9udq.pr.out
profile	/app/data/saxs_computation/ud/9udq/9udq.dat