8PEM
Zika Methyltransferase in complex with AT-9010 and SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-05 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.556, 41.016, 69.035 |
| Unit cell angles | 90.00, 96.25, 90.00 |
Refinement procedure
| Resolution | 28.380 - 2.000 |
| R-factor | 0.2299 |
| Rwork | 0.228 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.446 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.380 | 2.074 |
| High resolution limit [Å] | 2.000 | 2.002 |
| Rmerge | 0.258 | 1.181 |
| Rmeas | 0.310 | 1.408 |
| Rpim | 0.170 | 0.756 |
| Number of reflections | 14679 | 1430 |
| <I/σ(I)> | 4.9 | 1.24 |
| Completeness [%] | 97.2 | 94.75 |
| Redundancy | 3.2 | 3.2 |
| CC(1/2) | 0.975 | 0.385 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 25% PEG3350, 0.1M Sodium HEPES 7.5, 0.2M Magnesium chloride hexahydrate |
