6W02
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose
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 | 2020-02-23 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.264, 37.842, 68.296 |
| Unit cell angles | 97.86, 97.38, 89.94 |
Refinement procedure
| Resolution | 37.480 - 1.500 |
| R-factor | 0.1508 |
| Rwork | 0.150 |
| R-free | 0.17290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 6VXS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.803 |
| 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] | 37.500 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.075 | 0.224 |
| Number of reflections | 42236 | 941 |
| <I/σ(I)> | 25.3 | 5.98 |
| Completeness [%] | 80.8 | 36.1 |
| Redundancy | 3.4 | 2.9 |
| CC(1/2) | 0.982 | 0.935 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.01 M sodium citrate, 33 %(w/v) PEG6000 |
