7GZM
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008324-001
This is a non-PDB format compatible entry.
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 | 2023-02-20 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9212 |
Spacegroup name | P 43 |
Unit cell lengths | 89.126, 89.126, 39.544 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.750 - 1.160 |
R-factor | 0.1896 |
Rwork | 0.189 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.200 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.130 | 1.180 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.071 | 0.525 |
Rmeas | 0.074 | 0.742 |
Rpim | 0.021 | 0.525 |
Total number of observations | 886852 | 1164 |
Number of reflections | 93223 | 1112 |
<I/σ(I)> | 13.7 | 0.2 |
Completeness [%] | 86.2 | |
Redundancy | 9.5 | 1 |
CC(1/2) | 0.997 | 0.607 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 100 mM CHES (pH 9.5) and 30% PEG-3000 |