9pyt
NMR RDC refinement of the catalytic domain of the SARS-CoV-2 monomeric Main Protease (MPROH41Q,10-306)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9pyt |
| deposition_date | 2025-08-08 |
| title | NMR RDC refinement of the catalytic domain of the SARS-CoV-2 monomeric Main Protease (MPROH41Q,10-306) |
| keywords | Protease, Catalytic, NSP5, SARS-CoV-2, HYDROLASE; HYDROLASE |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 15.66 Å |
| rg_electron | 15.49 Å |
| i0 | 546648000.00 |
| molecular_weight | 192730.0 kDa |
| excluded_volume | 239020 ų |
| envelope_volume | 29782 ų |
| shell_volume | 15630 ų |
| envelope_diameter | 55.7 Å |
| shell_rg | 22.11 Å |
| envelope_rg | 16.19 Å |
| shape_rg | 15.50 Å |
| total_rg | 15.60 Å |
| total_atoms | 26560 |
| n_residues | 1750 |
| 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 | 52.6 Å |
| rg_real | 15.56 Å |
| rg_real_error | 0.26 Å |
| i0_real | 5.4660e+08 |
| i0_real_error | 5.7070e+06 |
| rg_reciprocal | 15.57 Å |
| i0_reciprocal | 546700000.0000 |
| total_estimate | 0.8732 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 19.3 Å |
| skewness | 0.130 |
| kurtosis | -0.423 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 941200.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.782; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 1.000 |