5ULP
Structure of the NS5 methyltransferase from Zika bound to MS2042
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.03324 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.989, 111.231, 77.400 |
| Unit cell angles | 90.00, 93.87, 90.00 |
Refinement procedure
| Resolution | 35.724 - 1.550 |
| R-factor | 0.1744 |
| Rwork | 0.173 |
| R-free | 0.19920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kqs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.845 |
| 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 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 95052 | 14622 |
| <I/σ(I)> | 23.1 | 2.4 |
| Completeness [%] | 99.9 | 97.8 |
| Redundancy | 6.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.095 M Sodium sodium citrate tribasic dihydrate, pH 5.6, 19 % v/v 2-Propanol, 19 % w/v PEG 4K, 5 % v/v glycerol |
