6WEN
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-31 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.671, 29.677, 37.886 |
| Unit cell angles | 90.00, 103.52, 90.00 |
Refinement procedure
| Resolution | 36.860 - 1.350 |
| R-factor | 0.1057 |
| Rwork | 0.104 |
| R-free | 0.14410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6wcf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.659 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.089 | 0.483 |
| Number of reflections | 32168 | 1515 |
| <I/σ(I)> | 24.13 | 2.65 |
| Completeness [%] | 95.7 | 91.4 |
| Redundancy | 6.2 | 2.7 |
| CC(1/2) | 0.994 | 0.747 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 289 | 34.3% PEG 5000 MME, 150 mM AMPD/Tris, pH 9.0, 30 mM K/NA tartrate |
