Crystal structure of MPXV A35R in complex with a neutralizing antibody MA49

entry_id	9ue0
deposition_date	2025-04-07
last_revision	2026-04-22
title	Crystal structure of MPXV A35R in complex with a neutralizing antibody MA49
keywords	MPXV, A35R, neutralizing antibody, VIRAL PROTEIN/IMMUNE SYSTEM, VIRAL PROTEIN-IMMUNE SYSTEM complex; VIRAL PROTEIN/IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	30.14 Å
rg_electron	29.72 Å
i0	73989600.00
molecular_weight	66238.0 kDa
excluded_volume	82061 ų
envelope_volume	104360 ų
shell_volume	31046 ų
envelope_diameter	105.0 Å
shell_rg	35.19 Å
envelope_rg	29.69 Å
shape_rg	29.67 Å
total_rg	30.38 Å
total_atoms	4664
n_residues	605
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	100.9 Å
rg_real	30.37 Å
rg_real_error	0.68 Å
i0_real	7.3990e+07
i0_real_error	1.1640e+06
rg_reciprocal	30.27 Å
i0_reciprocal	73980000.0000
total_estimate	0.8482
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.4 Å
skewness	0.546
kurtosis	-0.272
angular_range	— – 0.2650 Å−1
current_alpha	0.0000
highest_alpha	10740000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.787; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.886; Smooth: 0.775

Unit Cell

length_a	81.766 Å
length_b	82.528 Å
length_c	107.190 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.700 Å
resolution_low	44.950 Å
r_factor	0.2190
r_work	0.2138
r_free	0.2671

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ue/9ue0/pr_distribution.json
• pr_output /app/data/pr_computation/ue/9ue0/9ue0.pr.out
• pr_plot /app/data/visualization/pr_computation/ue/9ue0/9ue0_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ue/9ue0/9ue0.dat
• saxs_fit /app/data/saxs_computation/ue/9ue0/9ue0.fit
• saxs_log /app/data/saxs_computation/ue/9ue0/9ue0.log
• saxs_plot /app/data/visualization/saxs_computation/ue/9ue0/9ue0_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ue/9ue0/9ue0.fit
pddf	/app/data/pr_computation/ue/9ue0/9ue0.pr.out
profile	/app/data/saxs_computation/ue/9ue0/9ue0.dat