7KCE
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97872 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.970, 94.240, 116.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.370 - 1.140 |
| R-factor | 0.1444 |
| Rwork | 0.144 |
| R-free | 0.15870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p02 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.198 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.370 | 1.170 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.045 | 0.483 |
| Number of reflections | 131343 | 8683 |
| <I/σ(I)> | 19.1 | |
| Completeness [%] | 97.3 | 88 |
| Redundancy | 4.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 0.2M Lithium Chloride, 0.1M Tris PH 7.8, 20% PEG 6000, 10% Ethylene Glycol |
