5RHI
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z198194396
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 | 53.780, 68.220, 57.130 |
| Unit cell angles | 90.00, 92.75, 90.00 |
Refinement procedure
| Resolution | 53.780 - 1.450 |
| R-factor | 0.1772 |
| Rwork | 0.175 |
| R-free | 0.21210 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6mh3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.785 |
| 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] | 53.720 | 53.720 | 1.490 |
| High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
| Rmerge | 0.072 | 0.030 | 0.722 |
| Rmeas | 0.087 | 0.036 | 0.948 |
| Rpim | 0.048 | 0.020 | 0.609 |
| Total number of observations | 212335 | 2760 | 10503 |
| Number of reflections | 72439 | ||
| <I/σ(I)> | 8.8 | 28.8 | 1.1 |
| Completeness [%] | 99.2 | 99.5 | 97.5 |
| Redundancy | 2.9 | 3.2 | 2 |
| CC(1/2) | 0.997 | 0.998 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 |
