7GZG
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000620-001
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-15 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 |
Unit cell lengths | 88.759, 88.759, 39.234 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.760 - 1.251 |
R-factor | 0.1765 |
Rwork | 0.175 |
R-free | 0.20260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.240 |
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] | 88.760 | 1.320 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.044 | 0.397 |
Rmeas | 0.046 | 0.458 |
Rpim | 0.013 | 0.222 |
Total number of observations | 760936 | 8855 |
Number of reflections | 67379 | 2995 |
<I/σ(I)> | 27.6 | 1.6 |
Completeness [%] | 79.6 | |
Redundancy | 11.3 | 3 |
CC(1/2) | 1.000 | 0.902 |
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 |