5RHS
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z274555794
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 | 53.474, 68.861, 57.089 |
| Unit cell angles | 90.00, 92.42, 90.00 |
Refinement procedure
| Resolution | 53.480 - 1.530 |
| R-factor | 0.1685 |
| Rwork | 0.167 |
| R-free | 0.20940 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6mh3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.720 |
| 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] | 53.430 | 53.430 | 1.620 |
| High resolution limit [Å] | 1.530 | 4.850 | 1.530 |
| Rmerge | 0.048 | 0.019 | 0.889 |
| Rmeas | 0.057 | 0.022 | 1.122 |
| Rpim | 0.031 | 0.012 | 0.675 |
| Total number of observations | 193379 | 6788 | 20901 |
| Number of reflections | 61628 | ||
| <I/σ(I)> | 12.3 | 49.2 | 0.9 |
| Completeness [%] | 99.3 | 99.8 | 96.4 |
| Redundancy | 3.1 | 3.3 | 2.4 |
| CC(1/2) | 0.999 | 0.999 | 0.431 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 |
