8P1V
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound 2
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 | 67.935, 93.812, 116.773 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.130 - 1.540 |
| Rwork | 0.162 |
| R-free | 0.20650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.370 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.130 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.092 | 1.247 |
| Rpim | 0.033 | 0.437 |
| Number of reflections | 55294 | 2721 |
| <I/σ(I)> | 14.4 | 1.6 |
| Completeness [%] | 99.7 | |
| Redundancy | 7.7 | |
| CC(1/2) | 0.999 | 0.651 |
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 |
