8QE0
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
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 | 2019-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.179, 93.984, 116.409 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.130 - 1.120 |
| R-factor | 0.1709 |
| Rwork | 0.170 |
| R-free | 0.18670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| 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] | 73.130 | 1.227 |
| High resolution limit [Å] | 1.120 | 1.125 |
| Rmerge | 0.052 | 0.497 |
| Rmeas | 0.057 | 0.639 |
| Rpim | 0.023 | 0.395 |
| Total number of observations | 10449 | |
| Number of reflections | 95962 | 4797 |
| <I/σ(I)> | 14 | 1.6 |
| Completeness [%] | 68.0 | |
| Redundancy | 5.8 | 2.2 |
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 |
