8P4H
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A
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 | 2021-02-24 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.898, 106.742, 114.996 |
| Unit cell angles | 90.00, 93.18, 90.00 |
Refinement procedure
| Resolution | 78.300 - 1.710 |
| R-factor | 0.15433 |
| Rwork | 0.153 |
| R-free | 0.18388 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.602 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.300 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmeas | 0.086 | 1.073 |
| Rpim | 0.041 | 0.509 |
| Number of reflections | 176313 | 8792 |
| <I/σ(I)> | 9.4 | 12 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.998 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.10 M HEPES pH 7.0, 20 % (w/v) PEG 6000, 0.2 M MgCl2 |
