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 |