5RHY
PanDDA analysis group deposition of ground-state model of Zika Virus NS3 Helicase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.461, 69.011, 57.222 |
| Unit cell angles | 90.00, 92.05, 90.00 |
Refinement procedure
| Resolution | 57.250 - 1.360 |
| R-factor | 0.1721 |
| Rwork | 0.171 |
| R-free | 0.20490 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6mh3 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.255 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.190 | 57.190 | 1.430 |
| High resolution limit [Å] | 1.360 | 4.290 | 1.360 |
| Rmerge | 0.039 | 0.024 | 0.737 |
| Rmeas | 0.046 | 0.029 | 0.983 |
| Rpim | 0.025 | 0.015 | 0.644 |
| Total number of observations | 239832 | 9919 | 16668 |
| Number of reflections | 86412 | ||
| <I/σ(I)> | 12.5 | 44.3 | 0.9 |
| Completeness [%] | 96.1 | 99.4 | 78.3 |
| Redundancy | 2.8 | 3.4 | 1.6 |
| CC(1/2) | 0.999 | 0.999 | 0.472 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 |
