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 |