7KDB
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 35
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 | 2015-01-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97922 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.110, 94.027, 116.795 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.880 - 1.240 |
| R-factor | 0.127 |
| Rwork | 0.126 |
| R-free | 0.13840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p02 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.206 |
| 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] | 30.880 | 1.290 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.091 | 0.451 |
| Number of reflections | 105562 | 10311 |
| <I/σ(I)> | 16.2 | 3.5 |
| Completeness [%] | 99.6 | 96.8 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 0.2 M Lithium Chloride, 0.1 M Tris PH 7.8, 24% PEG 6000, 10% Ethylene Glycol |
