Crystal structure of monkeypox virus A30/H2 sub-complex at pH 6.8

entry_id	9wlp
deposition_date	2025-09-02
title	Crystal structure of monkeypox virus A30/H2 sub-complex at pH 6.8
keywords	The components of entry-fusion complex, VIRAL PROTEIN; VIRAL PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	29.94 Å
rg_electron	29.20 Å
i0	96226200.00
molecular_weight	75991.0 kDa
excluded_volume	94703 ų
envelope_volume	128020 ų
shell_volume	36442 ų
envelope_diameter	104.9 Å
shell_rg	36.34 Å
envelope_rg	29.18 Å
shape_rg	29.17 Å
total_rg	29.98 Å
total_atoms	5331
n_residues	667
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	98.0 Å
rg_real	29.80 Å
rg_real_error	0.69 Å
i0_real	9.6230e+07
i0_real_error	1.5150e+06
rg_reciprocal	29.86 Å
i0_reciprocal	96230000.0000
total_estimate	0.8823
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	40.7 Å
skewness	0.183
kurtosis	-0.302
angular_range	— – 0.2650 Å−1
current_alpha	0.0000
highest_alpha	11760000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.827; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.989

Unit Cell

length_a	60.410 Å
length_b	116.210 Å
length_c	125.190 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

Symmetry

space_group	P 2 21 21
int_tables_number	18
crystal_system	—

Refinement

resolution	2.500 Å
resolution_low	30.220 Å
r_factor	0.2180
r_work	0.2159
r_free	0.2560

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/wl/9wlp/pr_distribution.json
• pr_output /app/data/pr_computation/wl/9wlp/9wlp.pr.out
• pr_plot /app/data/visualization/pr_computation/wl/9wlp/9wlp_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/wl/9wlp/9wlp.dat
• saxs_fit /app/data/saxs_computation/wl/9wlp/9wlp.fit
• saxs_log /app/data/saxs_computation/wl/9wlp/9wlp.log
• saxs_plot /app/data/visualization/saxs_computation/wl/9wlp/9wlp_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/wl/9wlp/9wlp.fit
pddf	/app/data/pr_computation/wl/9wlp/9wlp.pr.out
profile	/app/data/saxs_computation/wl/9wlp/9wlp.dat