7RXV
Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine, Malonate (MLA) and MgF3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.981, 94.122, 117.315 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.860 - 1.070 |
R-factor | 0.13 |
Rwork | 0.130 |
R-free | 0.13870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7l1a |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19rc5_4047) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.860 | 19.860 | 1.090 |
High resolution limit [Å] | 1.070 | 5.860 | 1.070 |
Rmerge | 0.058 | 0.043 | 0.570 |
Rmeas | 0.061 | 0.045 | 0.635 |
Rpim | 0.017 | 0.013 | 0.272 |
Total number of observations | 1748608 | 13687 | 22006 |
Number of reflections | 153643 | 1085 | 4283 |
<I/σ(I)> | 21.4 | 51.2 | 2.9 |
Completeness [%] | 93.2 | 97.3 | 52.9 |
Redundancy | 11.4 | 12.6 | 5.1 |
CC(1/2) | 0.999 | 0.998 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 292 | 4% Tacsimate (1.83 M malonic acid, 0.25 M ammonium citrate tribasic, 0.12 M succinic acid, 0.3 M DL-malic acid, 0.4 M sodium acetate trihydrate, 0.5 M sodium formate, and 0.16 M ammonium tartrate dibasic) and 12% PEG-3350 |