8V7U
PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
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 | 2018-09-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.600, 69.550, 56.940 |
Unit cell angles | 90.00, 92.13, 90.00 |
Refinement procedure
Resolution | 56.901 - 1.820 |
R-factor | 0.1872 |
Rwork | 0.186 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.626 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.901 | 1.885 |
High resolution limit [Å] | 1.820 | 1.820 |
Number of reflections | 36759 | 6540 |
<I/σ(I)> | 9.6 | |
Completeness [%] | 97.8 | |
Redundancy | 1.8 | |
CC(1/2) | 0.997 | 0.346 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 11.5% PEG 1000 11.5% PEG 3350 11.5% MPD 0.09 M NPS 0.1 M MES-imidazole pH 6.7 |