7GQE
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57473948
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 | 2023-01-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92124 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.960, 62.590, 147.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.750 - 1.440 |
R-factor | 0.19161 |
Rwork | 0.191 |
R-free | 0.20583 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.787 |
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] | 38.720 | 1.480 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.120 | 2.444 |
Rmeas | 0.126 | 2.590 |
Rpim | 0.035 | 0.843 |
Total number of observations | 897841 | 48675 |
Number of reflections | 73212 | 5332 |
<I/σ(I)> | 10.1 | 0.9 |
Completeness [%] | 100.0 | |
Redundancy | 12.3 | 9.1 |
CC(1/2) | 0.998 | 0.333 |
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 |