7GQF
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z362020366
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 | 42.826, 62.679, 147.217 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.670 - 1.340 |
R-factor | 0.19106 |
Rwork | 0.190 |
R-free | 0.20297 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.750 |
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] | 38.630 | 1.360 |
High resolution limit [Å] | 1.340 | 1.340 |
Rmerge | 0.086 | 2.286 |
Rmeas | 0.089 | 2.480 |
Rpim | 0.025 | 0.931 |
Total number of observations | 1031319 | 22800 |
Number of reflections | 87531 | 3354 |
<I/σ(I)> | 10.5 | 0.2 |
Completeness [%] | 97.2 | |
Redundancy | 11.8 | 6.8 |
CC(1/2) | 0.999 | 0.316 |
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 |