7GZC
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000588-001
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 | 2022-12-14 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9212 |
Spacegroup name | P 43 |
Unit cell lengths | 89.116, 89.116, 39.603 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.770 - 1.185 |
R-factor | 0.1861 |
Rwork | 0.185 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.180 |
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] | 89.120 | 1.250 |
High resolution limit [Å] | 1.180 | 1.180 |
Rmerge | 0.080 | 0.521 |
Rmeas | 0.085 | 0.690 |
Rpim | 0.028 | 0.448 |
Total number of observations | 640728 | 10484 |
Number of reflections | 89760 | 6405 |
<I/σ(I)> | 11.6 | 0.6 |
Completeness [%] | 88.8 | |
Redundancy | 7.1 | 1.6 |
CC(1/2) | 0.998 | 0.819 |
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 |