6WCF
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES
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 | 2020-03-24 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.169, 33.178, 60.620 |
| Unit cell angles | 90.00, 96.11, 90.00 |
Refinement procedure
| Resolution | 33.130 - 1.065 |
| R-factor | 0.1267 |
| Rwork | 0.125 |
| R-free | 0.15370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6w6y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.407 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3409) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.090 |
| High resolution limit [Å] | 1.065 | 1.065 |
| Rmerge | 0.094 | 1.110 |
| Number of reflections | 64283 | 3077 |
| <I/σ(I)> | 18.74 | 1.46 |
| Completeness [%] | 97.9 | 94.8 |
| Redundancy | 5.9 | 3.9 |
| CC(1/2) | 0.995 | 0.564 |
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 |
