7GZS
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008340-001
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 | 2023-04-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 |
Unit cell lengths | 88.720, 88.720, 39.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.360 - 1.850 |
R-factor | 0.1985 |
Rwork | 0.196 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.990 |
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] | 44.360 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.368 | 4.990 |
Rmeas | 0.382 | 5.196 |
Rpim | 0.103 | 1.441 |
Total number of observations | 365512 | 24920 |
Number of reflections | 26551 | 1937 |
<I/σ(I)> | 6.2 | 0.6 |
Completeness [%] | 100.0 | |
Redundancy | 13.8 | 12.9 |
CC(1/2) | 0.994 | 0.294 |
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 |