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12af

Crystal Structure of SARS-CoV-2 Mpro with UM-067

Method: X-RAY DIFFRACTION Dmax: 74.3 Å Quality: GOOD

SAXS Profile

SAXS profile for 12af

P(r) Distribution

P(r) distribution for 12af

1. Structure Basics

entry_id12af
deposition_date2026-03-22
last_revision2026-04-22
titleCrystal Structure of SARS-CoV-2 Mpro with UM-067
keywordsMpro, SARS2, coronavirus, viral protease, main protease, VIRAL PROTEIN; VIRAL PROTEIN
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier22.08
rg_electron21.55
i036260800.00
molecular_weight31192.0 kDa
excluded_volume30226 ų
envelope_volume48289 ų
shell_volume19609 ų
envelope_diameter76.1
shell_rg27.21
envelope_rg21.75
shape_rg21.51
total_rg22.15
total_atoms2371
n_residues305
n_harmonics20
q_range— – 0.5000 −1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3

3. P(r) Analysis (GNOM)

dmax74.3
rg_real22.21
rg_real_error0.50
i0_real3.6260e+07
i0_real_error4.9100e+05
rg_reciprocal22.19
i0_reciprocal36260000.0000
total_estimate0.8553
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary22.2
skewness0.474
kurtosis-0.376
angular_range— – 0.3600 −1
current_alpha0.0000
highest_alpha11290000.0000
n_real_points68
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.780; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.832; Smooth: 0.944

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (1)

7. Files & Curves (10)