7TWI
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 539 kGy)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2021-02-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 43 |
| Unit cell lengths | 89.063, 89.063, 40.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.770 - 1.100 |
| R-factor | 0.0965 |
| Rwork | 0.096 |
| R-free | 0.11340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kqo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.165 |
| Data reduction software | XDS (Feb 5, 2021) |
| Data scaling software | XDS (Feb 5, 2021) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.770 | 1.139 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.031 | 0.528 |
| Number of reflections | 126824 | 12705 |
| <I/σ(I)> | 25.61 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 100 mM CHES, pH 9.5, 32% PEG3000 |
