7GQR
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z235343929
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92124 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.688, 62.647, 147.631 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.730 - 1.350 |
R-factor | 0.20741 |
Rwork | 0.207 |
R-free | 0.22124 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.680 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.710 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.095 | 1.941 |
Rmeas | 0.099 | 2.130 |
Rpim | 0.028 | 0.852 |
Total number of observations | 1019682 | 24244 |
Number of reflections | 87404 | 3975 |
<I/σ(I)> | 8.8 | 0.1 |
Completeness [%] | 99.4 | |
Redundancy | 11.7 | 6.1 |
CC(1/2) | 0.999 | 0.341 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.14 | 298 | 25% PEG 3350, 0.1M Tris, 0.2M Ammonium acetate |