7RWG
"Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.990, 93.720, 116.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.950 - 0.970 |
| R-factor | 0.1231 |
| Rwork | 0.122 |
| R-free | 0.13570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p02 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.142 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.860 | 0.990 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.070 | 0.863 |
| Number of reflections | 207397 | 9856 |
| <I/σ(I)> | 19.6 | 2.5 |
| Completeness [%] | 95.5 | 91.9 |
| Redundancy | 7.6 |
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, 18%-20% PEG6000, 10% Ethylene Glycol |
