5RHL
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z425387594
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 | 53.730, 68.500, 56.950 |
| Unit cell angles | 90.00, 92.44, 90.00 |
Refinement procedure
| Resolution | 53.740 - 1.430 |
| R-factor | 0.1945 |
| Rwork | 0.193 |
| R-free | 0.22660 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6mh3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.853 |
| 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] | 53.680 | 53.680 | 1.470 |
| High resolution limit [Å] | 1.430 | 6.400 | 1.430 |
| Rmerge | 0.074 | 0.028 | 0.713 |
| Rmeas | 0.089 | 0.034 | 0.949 |
| Rpim | 0.049 | 0.018 | 0.620 |
| Total number of observations | 215570 | 2827 | 10436 |
| Number of reflections | 75011 | ||
| <I/σ(I)> | 9.9 | 32.5 | 1.1 |
| Completeness [%] | 98.5 | 99.5 | 94.2 |
| Redundancy | 2.9 | 3.2 | 2 |
| CC(1/2) | 0.997 | 0.998 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 |
