5S73
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91258 |
| Spacegroup name | P 43 |
| Unit cell lengths | 87.930, 87.930, 38.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.090 - 1.060 |
| R-factor | 0.2021 |
| Rwork | 0.201 |
| R-free | 0.22340 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6woj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.734 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 88.230 | 88.230 | 1.080 |
| High resolution limit [Å] | 1.060 | 2.880 | 1.060 |
| Rmerge | 0.077 | 0.045 | 1.321 |
| Number of reflections | 108843 | ||
| <I/σ(I)> | 6.3 | 47.1 | 0.1 |
| Completeness [%] | 99.6 | 100 | 93.8 |
| CC(1/2) | 1.000 | 1.000 | 0.310 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 0.1 | 293.15 | 30% PEG 3K |
