7KCC
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270
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 | 2016-09-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.148, 94.055, 116.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.030 - 1.320 |
| R-factor | 0.1167 |
| Rwork | 0.115 |
| R-free | 0.14050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p02 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.066 |
| 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] | 47.030 | 1.370 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.116 | 0.528 |
| Number of reflections | 77099 | 3406 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 88.8 | 41.9 |
| Redundancy | 5.5 | 1.7 |
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 |
