9pys
NMR RDC refinement of the helical domain of the SARS-CoV-2 monomeric Main Protease (MPROH41Q,10-306)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9pys |
| deposition_date | 2025-08-08 |
| title | NMR RDC refinement of the helical domain of the SARS-CoV-2 monomeric Main Protease (MPROH41Q,10-306) |
| keywords | Protease, Helical, NSP5, SARS-CoV-2, HYDROLASE; HYDROLASE |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 13.47 Å |
| rg_electron | 13.13 Å |
| i0 | 192177000.00 |
| molecular_weight | 119250.0 kDa |
| excluded_volume | 150230 ų |
| envelope_volume | 18570 ų |
| shell_volume | 11730 ų |
| envelope_diameter | 46.8 Å |
| shell_rg | 19.22 Å |
| envelope_rg | 13.91 Å |
| shape_rg | 13.13 Å |
| total_rg | 13.31 Å |
| total_atoms | 16680 |
| n_residues | 1070 |
| 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 |
3. P(r) Analysis (GNOM)
| dmax | 41.7 Å |
| rg_real | 13.38 Å |
| rg_real_error | 0.25 Å |
| i0_real | 1.9220e+08 |
| i0_real_error | 2.0500e+06 |
| rg_reciprocal | 13.39 Å |
| i0_reciprocal | 192200000.0000 |
| total_estimate | 0.8003 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 16.4 Å |
| skewness | 0.051 |
| kurtosis | -0.293 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 251200.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.809; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.000 |