9rme
Hybrid NMR/Xray structure of SARS-CoV2 macrodomain (nsp3b) in complex with the sulfamoyl derivative of GS-441524
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9rme |
| deposition_date | 2025-06-18 |
| last_revision | 2026-03-18 |
| title | Hybrid NMR/Xray structure of SARS-CoV2 macrodomain (nsp3b) in complex with the sulfamoyl derivative of GS-441524 |
| keywords | SARS-CoV-2, macrodomain, inhibitor, complex, NSP3, NSP3b, VIRAL PROTEIN; VIRAL PROTEIN |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 15.61 Å |
| rg_electron | 15.26 Å |
| i0 | 500057000.00 |
| molecular_weight | 190070.0 kDa |
| excluded_volume | 238490 ų |
| envelope_volume | 29676 ų |
| shell_volume | 15398 ų |
| envelope_diameter | 57.4 Å |
| shell_rg | 22.36 Å |
| envelope_rg | 16.97 Å |
| shape_rg | 15.23 Å |
| total_rg | 15.51 Å |
| total_atoms | 26730 |
| n_residues | 1730 |
| 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 | 53.1 Å |
| rg_real | 15.53 Å |
| rg_real_error | 0.40 Å |
| i0_real | 5.0010e+08 |
| i0_real_error | 7.0640e+06 |
| rg_reciprocal | 15.54 Å |
| i0_reciprocal | 500100000.0000 |
| total_estimate | 0.7733 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 3 |
| r_peak_primary | 21.5 Å |
| skewness | 0.190 |
| kurtosis | -0.152 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 730000.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.685; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000 |