5NJU
Flavivirus NS5 domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2017-01-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.390, 67.390, 272.549 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.050 - 2.100 |
| R-factor | 0.1775 |
| Rwork | 0.175 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kqr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.273 |
| 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] | 39.050 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.111 | 0.680 |
| Number of reflections | 37913 | 5414 |
| <I/σ(I)> | 13.4 | 13.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.1 M Citric acid, pH 5.0, 2.0 M NaCl |
