9Y51
PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1563512128
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 | 2018-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.690, 69.420, 57.260 |
| Unit cell angles | 90.00, 92.11, 90.00 |
Refinement procedure
| Resolution | 34.580 - 1.730 |
| R-factor | 0.1762 |
| Rwork | 0.174 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.975 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.654 | 1.792 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Number of reflections | 43786 | 4346 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.990 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 11.5% PEG1000, 11.5% PEG3350, 11.5% MPD, 0.09 M NPS, 0.1 M MES-imidazole, pH 6.7 |
