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9qd5

Crystal structure of SARS-CoV-2 main protease in complex with RS222C

Method: X-RAY DIFFRACTION Dmax: 82.0 Å Quality: EXCELLENT

SAXS Profile

SAXS profile for 9qd5

P(r) Distribution

P(r) distribution for 9qd5

1. Structure Basics

entry_id9qd5
deposition_date2025-03-06
titleCrystal structure of SARS-CoV-2 main protease in complex with RS222C
keywordsProtease, Sars-Cov-2, 3CLPro, Complex, Covalent, VIRAL PROTEIN; VIRAL PROTEIN
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier26.25
rg_electron25.39
i0137577000.00
molecular_weight61714.0 kDa
excluded_volume59549 ų
envelope_volume98703 ų
shell_volume32098 ų
envelope_diameter87.7
shell_rg32.99
envelope_rg25.52
shape_rg25.38
total_rg25.98
total_atoms4645
n_residues595
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)

dmax82.0
rg_real26.11
rg_real_error0.47
i0_real1.3760e+08
i0_real_error1.7930e+06
rg_reciprocal26.16
i0_reciprocal137600000.0000
total_estimate0.9047
solution_quality EXCELLENT a EXCELLENT solution
n_peaks2
r_peak_primary35.5
skewness0.147
kurtosis-0.558
angular_range— – 0.3000 −1
current_alpha0.0000
highest_alpha44310000.0000
n_real_points61
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.932; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.967

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (1)

7. Files & Curves (10)