7GZQ
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008379-001
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 | 2023-03-08 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9212 |
Spacegroup name | P 43 |
Unit cell lengths | 88.958, 88.958, 39.496 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.960 - 1.430 |
R-factor | 0.2039 |
Rwork | 0.202 |
R-free | 0.24250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.040 |
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] | 88.980 | 1.340 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.170 | 3.358 |
Rmeas | 0.177 | 3.789 |
Rpim | 0.049 | 1.690 |
Total number of observations | 813416 | 16332 |
Number of reflections | 48229 | 3627 |
<I/σ(I)> | 3.6 | 0 |
Completeness [%] | 99.9 | |
Redundancy | 11.2 | 4.5 |
CC(1/2) | 0.996 | 0.287 |
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 |