8QE2
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97004 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.160, 94.010, 116.647 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.850 - 1.109 |
| R-factor | 0.1635 |
| Rwork | 0.163 |
| R-free | 0.18140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.850 | 1.159 |
| High resolution limit [Å] | 1.109 | 1.114 |
| Rmerge | 0.048 | 0.306 |
| Rmeas | 0.052 | 0.410 |
| Rpim | 0.021 | 0.269 |
| Total number of observations | 12132 | |
| Number of reflections | 132342 | 6595 |
| <I/σ(I)> | 16.2 | 1.9 |
| Completeness [%] | 90.5 | |
| Redundancy | 5.7 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 8-12 % PEG 8000, 8-12 % ethylene glycol, 0.1 M Hepes pH 8.0 |
