7GOB
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1295863442
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 | 2023-01-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92124 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.681, 62.275, 147.589 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.790 - 1.450 |
R-factor | 0.18358 |
Rwork | 0.183 |
R-free | 0.19953 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.759 |
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] | 73.790 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.103 | 1.889 |
Rmeas | 0.107 | 1.994 |
Rpim | 0.029 | 0.631 |
Total number of observations | 891401 | 98961 |
Number of reflections | 70864 | 10195 |
<I/σ(I)> | 11.1 | 1.1 |
Completeness [%] | 100.0 | |
Redundancy | 12.6 | 9.7 |
CC(1/2) | 0.998 | 0.527 |
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 |