5WXB
crystal structure of ZIKV MTase in complex with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 37.991, 76.862, 109.582 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.616 - 1.762 |
| R-factor | 0.1737 |
| Rwork | 0.172 |
| R-free | 0.19940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kqr |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.824 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.108 | 0.502 |
| Number of reflections | 32293 | |
| <I/σ(I)> | 15.6 | 1.6 |
| Completeness [%] | 88.1 | 88.1 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 289.15 | 0.1M sodium citrate tribasic dihydrate pH 5.5, 22% (w/v) polyethylene glycol 1000 |
