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 |
