8P1W
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.132, 93.785, 116.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.909 - 1.150 |
| Rwork | 0.112 |
| R-free | 0.12920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.468 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.910 | 1.150 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.057 | 0.817 |
| Rpim | 0.020 | 0.427 |
| Number of reflections | 132552 | 6087 |
| <I/σ(I)> | 14.8 | 1.3 |
| Completeness [%] | 99.4 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.999 | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.10 M HEPES pH 8.0, 8 - 12%(v/v) Ethylene glycol, 8 - 10.0% (w/v) PEG8000 |
