Crystal structure of MPXV A35R in complex with a neutralizing antibody BA345

entry_id	9ue8
deposition_date	2025-04-08
last_revision	2026-04-22
title	Crystal structure of MPXV A35R in complex with a neutralizing antibody BA345
keywords	MPXV, A35R, neutralizing, antibody, VIRAL PROTEIN/IMMUNE SYSTEM, VIRAL PROTEIN-IMMUNE SYSTEM complex; VIRAL PROTEIN/IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	59.43 Å
rg_electron	59.34 Å
i0	2302260000.00
molecular_weight	392940.0 kDa
excluded_volume	487130 ų
envelope_volume	719530 ų
shell_volume	103230 ų
envelope_diameter	213.3 Å
shell_rg	58.81 Å
envelope_rg	58.12 Å
shape_rg	59.30 Å
total_rg	59.44 Å
total_atoms	27654
n_residues	3624
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	194.6 Å
rg_real	59.30 Å
rg_real_error	1.71 Å
i0_real	2.3020e+09
i0_real_error	4.2830e+07
rg_reciprocal	59.50 Å
i0_reciprocal	2303000000.0000
total_estimate	0.8689
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	82.3 Å
skewness	0.215
kurtosis	-0.277
angular_range	— – 0.1300 Å−1
current_alpha	0.0000
highest_alpha	81310000.0000
n_real_points	27
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.886; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.656

Unit Cell

length_a	113.063 Å
length_b	126.067 Å
length_c	350.292 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	48

Symmetry

space_group	P 2 21 21
int_tables_number	18
crystal_system	—

Refinement

resolution	3.200 Å
resolution_low	49.480 Å
r_factor	0.2032
r_work	0.2016
r_free	0.2668

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ue/9ue8/pr_distribution.json
• pr_output /app/data/pr_computation/ue/9ue8/9ue8.pr.out
• pr_plot /app/data/visualization/pr_computation/ue/9ue8/9ue8_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ue/9ue8/9ue8.dat
• saxs_fit /app/data/saxs_computation/ue/9ue8/9ue8.fit
• saxs_log /app/data/saxs_computation/ue/9ue8/9ue8.log
• saxs_plot /app/data/visualization/saxs_computation/ue/9ue8/9ue8_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ue/9ue8/9ue8.fit
pddf	/app/data/pr_computation/ue/9ue8/9ue8.pr.out
profile	/app/data/saxs_computation/ue/9ue8/9ue8.dat