5RHR
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1348559502
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 | 53.301, 68.991, 57.223 |
| Unit cell angles | 90.00, 92.09, 90.00 |
Refinement procedure
| Resolution | 53.320 - 1.460 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21020 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6mh3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.795 |
| 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] | 53.270 | 53.270 | 1.530 |
| High resolution limit [Å] | 1.460 | 4.600 | 1.460 |
| Rmerge | 0.052 | 0.020 | 0.764 |
| Rmeas | 0.063 | 0.024 | 1.008 |
| Rpim | 0.035 | 0.013 | 0.650 |
| Total number of observations | 214022 | 8010 | 21449 |
| Number of reflections | 71602 | ||
| <I/σ(I)> | 11.3 | 44.8 | 1 |
| Completeness [%] | 98.7 | 99.6 | 94.4 |
| Redundancy | 3 | 3.4 | 2.1 |
| CC(1/2) | 0.999 | 0.999 | 0.442 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 |
