5NJV
Flavivirus NS5 domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2017-02-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 61 |
| Unit cell lengths | 125.920, 125.920, 125.854 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.530 - 2.000 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kqr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.197 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.530 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.630 |
| Number of reflections | 76301 | |
| <I/σ(I)> | 15.8 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.9 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 21% PEG 400 0.1 M Tris, pH 7.0 |
