7GP2
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z425757818
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 | 42.772, 62.308, 147.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.580 - 1.310 |
R-factor | 0.18607 |
Rwork | 0.185 |
R-free | 0.20154 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.756 |
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] | 38.550 | 1.330 |
High resolution limit [Å] | 1.310 | 1.310 |
Rmerge | 0.099 | 1.735 |
Rmeas | 0.104 | 1.932 |
Rpim | 0.029 | 0.829 |
Total number of observations | 1050562 | 18306 |
Number of reflections | 93536 | 3509 |
<I/σ(I)> | 10.1 | 0.3 |
Completeness [%] | 97.8 | |
Redundancy | 11.2 | 5.2 |
CC(1/2) | 0.997 | 0.302 |
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 |