7KCE
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-03 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97872 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.970, 94.240, 116.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.370 - 1.140 |
R-factor | 0.1444 |
Rwork | 0.144 |
R-free | 0.15870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p02 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.198 |
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] | 29.370 | 1.170 |
High resolution limit [Å] | 1.140 | 1.140 |
Rmerge | 0.045 | 0.483 |
Number of reflections | 131343 | 8683 |
<I/σ(I)> | 19.1 | |
Completeness [%] | 97.3 | 88 |
Redundancy | 4.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 0.2M Lithium Chloride, 0.1M Tris PH 7.8, 20% PEG 6000, 10% Ethylene Glycol |