5MRK
Structural basis of Zika virus methyltransferase inhibition by sinefungin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-16 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.541870 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.840, 52.010, 84.170 |
| Unit cell angles | 90.00, 107.56, 90.00 |
Refinement procedure
| Resolution | 31.240 - 1.900 |
| R-factor | 0.2287 |
| Rwork | 0.227 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kqr |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.725 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.240 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.124 | 1.605 |
| Number of reflections | 82986 | |
| <I/σ(I)> | 11.01 | 0.7 |
| Completeness [%] | 98.7 | 92.06 |
| Redundancy | 5.18 | |
| CC(1/2) | 0.995 | 0.382 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 288 | 100 mM sodium acetate pH 4.6, 39% PEG400 |
