9RZB
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with SRI1.112 at room temperature
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 292 |
| Detector technology | PIXEL |
| Collection date | 2025-01-30 |
| Detector | DECTRIS EIGER2 X 4M |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.325, 33.335, 60.893 |
| Unit cell angles | 90.00, 97.44, 90.00 |
Refinement procedure
| Resolution | 60.380 - 1.530 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.17820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.092 |
| Data reduction software | xia2.multiplex |
| Data scaling software | xia2.multiplex |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.380 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rpim | 0.019 | |
| Number of reflections | 22730 | 1135 |
| <I/σ(I)> | 28.3 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 148.9 | 26.4 |
| CC(1/2) | 1.000 | 0.263 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 0.1 M MES (pH 6.50) and 30 % w/v PEG 3000 |
