7QG7
SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-10 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 29.840, 73.870, 135.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.560 - 1.720 |
| R-factor | 0.1853 |
| Rwork | 0.183 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ywm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.787 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.210 | 1.820 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Number of reflections | 32987 | 5219 |
| <I/σ(I)> | 12.09 | |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 12.86 | 12.65 |
| CC(1/2) | 0.999 | 0.387 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | 0.1 M Bis-Tris Propane/HCl pH 7.0, 2.2 M DL-Malic Acid pH 7.0, EG as cryoprotectant |
