7GQL
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53833304
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 | 42.799, 62.492, 147.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.640 - 1.480 |
R-factor | 0.18928 |
Rwork | 0.188 |
R-free | 0.20503 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.743 |
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] | 38.600 | 1.500 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.314 | 9.990 |
Rmeas | 0.327 | 14.266 |
Rpim | 0.091 | 4.526 |
Total number of observations | 851623 | 28456 |
Number of reflections | 67136 | 2911 |
<I/σ(I)> | 13.7 | 0.8 |
Completeness [%] | 99.5 | |
Redundancy | 12.7 | 9.8 |
CC(1/2) | 0.998 | 0.178 |
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 |