8P1T
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1807 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.858, 93.482, 116.793 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.976 - 1.442 |
| Rwork | 0.117 |
| R-free | 0.15130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.404 |
| 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] | 54.980 | 1.470 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.097 | 1.616 |
| Rpim | 0.034 | 0.568 |
| Number of reflections | 67105 | 3302 |
| <I/σ(I)> | 14.1 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 8 | |
| CC(1/2) | 0.990 | 0.614 |
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 |
