38LZ
Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with compound 12p
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-06 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.910, 88.900, 43.040 |
| Unit cell angles | 90.00, 94.88, 90.00 |
Refinement procedure
| Resolution | 29.070 - 1.530 |
| R-factor | 0.1632 |
| Rwork | 0.162 |
| R-free | 0.19590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.986 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0_5936) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.070 | 1.560 |
| High resolution limit [Å] | 1.526 | 1.530 |
| Rmerge | 0.081 | 0.461 |
| Rmeas | 0.088 | 0.526 |
| Rpim | 0.034 | 0.245 |
| Number of reflections | 46501 | 2249 |
| <I/σ(I)> | 11.3 | 1.77 |
| Completeness [%] | 95.2 | 65.94 |
| Redundancy | 6.2 | 4.1 |
| CC(1/2) | 0.998 | 0.715 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris-HCl, pH 8, 200 mM sodium acetate, 31% w/v PEG4000 |
