5KQR
Structure of NS5 methyltransferase from Zika virus bound to S-adenosylmethionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97920 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.650, 78.137, 45.375 |
| Unit cell angles | 90.00, 106.98, 90.00 |
Refinement procedure
| Resolution | 43.396 - 1.331 |
| R-factor | 0.1708 |
| Rwork | 0.170 |
| R-free | 0.18930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2px2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | Auto-Rickshaw |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.068 | 0.298 |
| Number of reflections | 50695 | |
| <I/σ(I)> | 17.7 | 4.09 |
| Completeness [%] | 91.9 | 55.5 |
| Redundancy | 4.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 17-20% PEG 400, 0.1 M Tris, pH 8.0 |
