7XC3
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 59.924, 59.924, 184.342 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.990 - 1.700 |
| R-factor | 0.1975 |
| Rwork | 0.196 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w2g |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.990 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.154 | 0.848 |
| Number of reflections | 36862 | 3661 |
| <I/σ(I)> | 29 | 12 |
| Completeness [%] | 99.3 | 96.9 |
| Redundancy | 3.2 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 3.5 M sodium formate, pH 6.8 |
