8OKB
SARS-CoV2 NSP5 in complex with a peptidomimetic ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-25 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.541 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.130, 53.430, 45.140 |
| Unit cell angles | 90.00, 102.09, 90.00 |
Refinement procedure
| Resolution | 44.140 - 2.310 |
| R-factor | 0.2173 |
| Rwork | 0.215 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.553 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1-4487.000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.310 |
| Rmerge | 0.200 | 0.800 |
| Number of reflections | 11500 | 686 |
| <I/σ(I)> | 4.8 | 2 |
| Completeness [%] | 95.0 | 85 |
| Redundancy | 2.9 | |
| CC(1/2) | 0.970 | 0.310 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M Ammonium acetate, 20% PEG6000 |
