6VXS
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2
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 | 2020-02-21 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 30.391, 37.896, 65.400 |
| Unit cell angles | 84.37, 82.11, 90.11 |
Refinement procedure
| Resolution | 37.710 - 2.030 |
| R-factor | 0.1886 |
| Rwork | 0.186 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 2ACF |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.513 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.373 | |
| Number of reflections | 16545 | 820 |
| <I/σ(I)> | 8.44 | 3.76 |
| Completeness [%] | 90.8 | 91.2 |
| Redundancy | 5.3 | 3.4 |
| CC(1/2) | 0.971 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 289 | 0.1 M CHES pH 9.5, 30 %(w/v) PEG3000 |
