7KXB
Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 113.636, 113.636, 39.370 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.550 - 1.550 |
R-factor | 0.1619 |
Rwork | 0.161 |
R-free | 0.18770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wey |
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] | 36.550 | 1.605 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.129 | 3.305 |
Rmeas | 0.137 | 3.506 |
Rpim | 0.044 | 1.156 |
Number of reflections | 74399 | 4229 |
<I/σ(I)> | 10.39 | 0.95 |
Completeness [%] | 96.0 | 88.29 |
Redundancy | 9.6 | 9.1 |
CC(1/2) | 0.999 | 0.394 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 60% ASO4 0.4% BME 50 mM MES pH 6.0 200 mM Imidazole /Malate pH 8.6 |