7LG7
Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 113.097, 113.097, 41.659 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.340 - 2.300 |
R-factor | 0.1798 |
Rwork | 0.178 |
R-free | 0.20560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w02 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.340 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.137 | 2.482 |
Rmeas | 0.144 | 2.616 |
Rpim | 0.045 | 0.819 |
Number of reflections | 13824 | 1335 |
<I/σ(I)> | 13.49 | 1.05 |
Completeness [%] | 91.7 | 76.7 |
Redundancy | 10 | 9.9 |
CC(1/2) | 0.998 | 0.397 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 60% ASO4,0.4% BME,50 mM MES 6.0,200 mM Imidazole /Malate 8.2 |