6W6Y
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP
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 | 2020-03-03 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.746, 33.375, 121.148 |
| Unit cell angles | 90.00, 95.09, 90.00 |
Refinement procedure
| Resolution | 40.256 - 1.451 |
| Rwork | 0.142 |
| R-free | 0.18910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6vxs |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.683 |
| 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 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.109 | 1.249 |
| Number of reflections | 52864 | 2626 |
| <I/σ(I)> | 21.3 | |
| Completeness [%] | 98.6 | 99.5 |
| Redundancy | 5.3 | 4.6 |
| CC(1/2) | 0.990 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M MES, pH 6.5, 30% w/v PEG4000 |
