9CEH
SARS-CoV Papain-like Protease in complex with an inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-26 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 88.238, 88.238, 96.523 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.170 - 3.250 |
| Rwork | 0.233 |
| R-free | 0.29330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14-3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.563 | 2.862 |
| High resolution limit [Å] | 2.852 | 2.852 |
| Rmerge | 0.114 | 4.615 |
| Rmeas | 0.124 | 4.979 |
| Rpim | 0.047 | 1.855 |
| Total number of observations | 70562 | 686 |
| Number of reflections | 10181 | 96 |
| <I/σ(I)> | 9.3 | 0.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 16% (w/v) PEG 8000, 40 mM Potassium phosphate monobasic, 20% (v/v) Glycerol |
