8UFM
Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.12704 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 86.274, 86.274, 76.674 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.260 - 1.650 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.20790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.454 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.100 | |
| Rmeas | 0.102 | |
| Rpim | 0.024 | 0.437 |
| Number of reflections | 40007 | 1971 |
| <I/σ(I)> | 30.1 | 2 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 18.8 | 14.4 |
| CC(1/2) | 1.000 | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 292 | Protein: 6.45 mg/ml, 0.3M Sodium chloride, 0.01M Tris pH 8.3; Screen: AmSO4 (A2), 0.2M Ammonium acetate, 2.2M Ammonium sulfate; Cryo: 2.0M Lithium sulfate |
