7RW7
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.102, 93.997, 116.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.000 - 1.190 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.23560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p02 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.671 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.230 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.239 | 0.550 |
| Number of reflections | 117325 | 11605 |
| <I/σ(I)> | 10.5 | 2.3 |
| Completeness [%] | 98.3 | 98.58 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2 M LiCl, 0.1 M Tris pH 8.0, 16%-22% PEG6000, 10% Ethylene Glycol |
