8QE3
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.81532 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.161, 94.012, 116.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.180 - 1.089 |
| R-factor | 0.1736 |
| Rwork | 0.173 |
| R-free | 0.18110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| 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] | 73.180 | 1.171 |
| High resolution limit [Å] | 1.089 | 1.089 |
| Rmerge | 0.102 | 1.478 |
| Rmeas | 0.106 | 1.537 |
| Rpim | 0.028 | 0.417 |
| Total number of observations | 67794 | |
| Number of reflections | 105391 | 5270 |
| <I/σ(I)> | 13.6 | 1.6 |
| Completeness [%] | 67.8 | |
| Redundancy | 13.9 | 12.9 |
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 |
