7XQ7
The complex structure of WT-Mpro
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2022-04-28 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.9778 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.259, 53.904, 44.684 |
Unit cell angles | 90.00, 101.09, 90.00 |
Refinement procedure
Resolution | 30.710 - 2.350 |
R-factor | 0.2101 |
Rwork | 0.209 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7w9g |
RMSD bond length | 0.004 |
RMSD bond angle | 0.740 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.850 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 11224 | 1101 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 99.8 | |
Redundancy | 3.7 | |
CC(1/2) | 0.998 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | MESpH6.5, PEG6000 |