7KCF
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.195, 94.376, 116.208 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.910 - 1.100 |
| R-factor | 0.1478 |
| Rwork | 0.147 |
| R-free | 0.15960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p02 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.265 |
| 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] | 30.910 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.171 | 0.683 |
| Number of reflections | 151039 | 14979 |
| <I/σ(I)> | 8.3 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 291 | 0.2 M LiCl, 0.1 M Tris pH 8.4, 20% PEG 6000, 10% Ethylene Glycol |
