8QDY
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8
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 | 2018-04-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.730, 94.420, 117.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.930 - 1.190 |
| R-factor | 0.1659 |
| Rwork | 0.165 |
| R-free | 0.17970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.930 | 1.220 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.054 | 0.764 |
| Rmeas | 0.059 | 1.002 |
| Rpim | 0.024 | 0.639 |
| Total number of observations | 635552 | 13380 |
| Number of reflections | 118138 | 6711 |
| <I/σ(I)> | 13.3 | 1.1 |
| Completeness [%] | 97.2 | |
| Redundancy | 5.4 | 2 |
| CC(1/2) | 0.999 | 0.455 |
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 |
