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 |