6WEY
High-resolution structure of the SARS-CoV-2 NSP3 Macro X domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-03-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.322, 54.424, 67.567 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.300 - 0.950 |
R-factor | 0.1199 |
Rwork | 0.119 |
R-free | 0.13620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fav |
RMSD bond length | 0.009 |
RMSD bond angle | 1.133 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.320 | 0.970 |
High resolution limit [Å] | 0.950 | 0.950 |
Rmerge | 0.063 | 0.348 |
Rmeas | 0.075 | 0.475 |
Rpim | 0.039 | 0.320 |
Number of reflections | 99442 | 4199 |
<I/σ(I)> | 13.1 | 1.5 |
Completeness [%] | 98.2 | 85 |
Redundancy | 6.5 | 2.6 |
CC(1/2) | 0.995 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | Morpheus Screen D9 (0.12M Alcohols, 0.1M buffer system 3, pH 8.5, 30% PPT mix 1 [40% PEG 500 MME/20% PEG 20K]) |