8DRT
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence (form 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.856, 105.078, 52.290 |
Unit cell angles | 90.00, 104.46, 90.00 |
Refinement procedure
Resolution | 50.630 - 1.500 |
R-factor | 0.156 |
Rwork | 0.155 |
R-free | 0.18270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7joy |
RMSD bond length | 0.006 |
RMSD bond angle | 0.945 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.080 | 45.610 |
High resolution limit [Å] | 1.260 | 1.500 |
Rmerge | 0.046 | 0.052 |
Rmeas | 0.052 | |
Rpim | 0.023 | 0.026 |
Number of reflections | 79812 | 75618 |
<I/σ(I)> | 16.8 | 21.52 |
Completeness [%] | 68.0 | 94.74 |
Redundancy | 4.9 | 5.1 |
CC(1/2) | 0.998 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 20% PEG3350, 0.2 M ammonium chloride |