8GIA
Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 140.517, 36.668, 65.056 |
Unit cell angles | 90.00, 101.21, 90.00 |
Refinement procedure
Resolution | 68.920 - 1.860 |
R-factor | 0.211 |
Rwork | 0.208 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ywl |
RMSD bond length | 0.004 |
RMSD bond angle | 0.728 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.920 | 1.900 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.184 | 1.334 |
Rmeas | 0.200 | |
Rpim | 0.077 | 0.542 |
Number of reflections | 27691 | 1663 |
<I/σ(I)> | 6.9 | |
Completeness [%] | 99.5 | 99.1 |
Redundancy | 6.8 | 7 |
CC(1/2) | 0.989 | 0.663 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris-HCl, pH 8, 200 mM sodium acetate, 30% PEG4000 |