8OKC
SARS-CoV2 NSP5 in complex with a GC-376 based peptidomimetic PROTAC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-03 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.541 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.120, 53.160, 45.270 |
| Unit cell angles | 90.00, 102.11, 90.00 |
Refinement procedure
| Resolution | 30.480 - 2.000 |
| R-factor | 0.21693 |
| Rwork | 0.215 |
| R-free | 0.24863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.471 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.300 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.180 | 0.900 |
| Number of reflections | 18769 | 882 |
| <I/σ(I)> | 7 | 1.5 |
| Completeness [%] | 90.2 | |
| Redundancy | 5.1 | 3.5 |
| CC(1/2) | 0.990 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M Ammonium Acetate, 20% PEG 3350 |
