7GOH
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1439422127
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 | 2023-01-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92124 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.748, 62.566, 147.763 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.680 - 1.520 |
R-factor | 0.20177 |
Rwork | 0.201 |
R-free | 0.22241 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.563 |
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] | 62.560 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.121 | 2.362 |
Rmeas | 0.126 | 2.487 |
Rpim | 0.035 | 0.768 |
Total number of observations | 801468 | 29162 |
Number of reflections | 62010 | 2824 |
<I/σ(I)> | 7.2 | 0.2 |
Completeness [%] | 99.7 | |
Redundancy | 12.9 | 10.3 |
CC(1/2) | 0.998 | 0.423 |
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 |