7KDA
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 34
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 | 2014-09-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.124, 94.028, 116.891 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.270 - 1.240 |
| R-factor | 0.127 |
| Rwork | 0.127 |
| R-free | 0.13900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p02 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.167 |
| 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] | 30.270 | 1.290 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.088 | 0.273 |
| Number of reflections | 105080 | 10329 |
| <I/σ(I)> | 15.7 | 5.8 |
| Completeness [%] | 99.4 | 98.2 |
| Redundancy | 4.8 | 4.5 |
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, 20% PEG 6000, 10% Ethylene Glycol |
