7GNY
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1102357527
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 | 2023-01-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92124 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.799, 62.695, 147.487 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.740 - 1.450 |
R-factor | 0.19287 |
Rwork | 0.192 |
R-free | 0.21246 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.558 |
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] | 147.510 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.113 | 2.997 |
Rmeas | 0.118 | 3.175 |
Rpim | 0.032 | 1.036 |
Total number of observations | 896787 | 33806 |
Number of reflections | 71507 | 3641 |
<I/σ(I)> | 8.1 | 0.2 |
Completeness [%] | 100.0 | |
Redundancy | 12.5 | 9.3 |
CC(1/2) | 0.999 | 0.346 |
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 |