9HHH
A rare open conformation for Ubl2 domain of papain-like protease C111S of SARS-CoV2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-04 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 98.428, 106.253, 72.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.210 - 1.980 |
| R-factor | 0.1811 |
| Rwork | 0.179 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.897 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.210 | 1.840 |
| High resolution limit [Å] | 1.628 | 1.630 |
| Rmeas | 0.162 | |
| Number of reflections | 62300 | 3115 |
| <I/σ(I)> | 6.7 | 1.7 |
| Completeness [%] | 72.2 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.996 | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | 1.45 M Ammonium Sulfate, 0.1 M Bicine pH 8, 10 % Glycerol |
