5RHV
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z62645406
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 | 53.560, 69.240, 57.330 |
| Unit cell angles | 90.00, 92.37, 90.00 |
Refinement procedure
| Resolution | 53.570 - 1.710 |
| R-factor | 0.1667 |
| Rwork | 0.165 |
| R-free | 0.21270 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6mh3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.635 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.510 | 53.510 | 1.750 |
| High resolution limit [Å] | 1.710 | 7.650 | 1.710 |
| Rmerge | 0.074 | 0.021 | 1.041 |
| Rmeas | 0.089 | 0.025 | 1.284 |
| Rpim | 0.048 | 0.014 | 0.742 |
| Total number of observations | 149630 | 1715 | 9659 |
| Number of reflections | 45248 | ||
| <I/σ(I)> | 10.2 | 39.1 | 1 |
| Completeness [%] | 99.8 | 98 | 99.7 |
| Redundancy | 3.3 | 3.2 | 2.9 |
| CC(1/2) | 0.998 | 0.999 | 0.359 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 |
