5RHG
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z235341991
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 | 2018-09-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.777, 68.692, 57.183 |
| Unit cell angles | 90.00, 92.61, 90.00 |
Refinement procedure
| Resolution | 57.120 - 1.410 |
| R-factor | 0.1757 |
| Rwork | 0.174 |
| R-free | 0.20520 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6mh3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.810 |
| 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] | 57.120 | 57.120 | 1.490 |
| High resolution limit [Å] | 1.410 | 4.460 | 1.410 |
| Rmerge | 0.044 | 0.021 | 0.785 |
| Rmeas | 0.053 | 0.024 | 1.020 |
| Rpim | 0.029 | 0.013 | 0.644 |
| Total number of observations | 228105 | 8907 | 21504 |
| Number of reflections | 78708 | ||
| <I/σ(I)> | 11.9 | 46.6 | 0.9 |
| Completeness [%] | 98.6 | 99.7 | 96.9 |
| Redundancy | 2.9 | 3.4 | 1.9 |
| CC(1/2) | 0.999 | 0.999 | 0.447 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 |
