7GO3
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198162455
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 | 42.832, 62.628, 147.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.720 - 1.530 |
| R-factor | 0.19524 |
| Rwork | 0.194 |
| R-free | 0.21795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.649 |
| 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] | 57.650 | 1.610 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.200 | 4.091 |
| Rmeas | 0.210 | 4.331 |
| Rpim | 0.063 | 1.401 |
| Total number of observations | 663575 | 81536 |
| Number of reflections | 60700 | 8748 |
| <I/σ(I)> | 8.2 | 1.4 |
| Completeness [%] | 99.8 | |
| Redundancy | 10.9 | 9.3 |
| CC(1/2) | 0.993 | 0.383 |
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 |
