5RHX
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1324080698
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 | 53.348, 69.134, 57.087 |
| Unit cell angles | 90.00, 92.55, 90.00 |
Refinement procedure
| Resolution | 57.030 - 1.730 |
| R-factor | 0.1872 |
| Rwork | 0.185 |
| R-free | 0.23450 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6mh3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.585 |
| 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] | 57.030 | 57.030 | 1.820 |
| High resolution limit [Å] | 1.730 | 5.460 | 1.730 |
| Rmerge | 0.127 | 0.045 | 1.008 |
| Rmeas | 0.152 | 0.054 | 1.220 |
| Rpim | 0.082 | 0.029 | 0.679 |
| Total number of observations | 144460 | 4778 | 19501 |
| Number of reflections | 43318 | ||
| <I/σ(I)> | 7.3 | 22.3 | 1.2 |
| Completeness [%] | 99.3 | 99.7 | 99.3 |
| Redundancy | 3.3 | 3.3 | 3.1 |
| CC(1/2) | 0.994 | 0.997 | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 |
