7RXX
Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and two sulfate in the active site
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 | 68.224, 94.121, 117.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.880 - 1.250 |
R-factor | 0.1297 |
Rwork | 0.129 |
R-free | 0.14050 |
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] | 19.880 | 19.880 | 1.270 |
High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
Rmerge | 0.094 | 0.053 | 0.551 |
Rmeas | 0.098 | 0.055 | 0.575 |
Rpim | 0.027 | 0.015 | 0.161 |
Total number of observations | 1330026 | 8591 | 64412 |
Number of reflections | 103477 | 681 | 5069 |
<I/σ(I)> | 18.8 | 39.3 | 6.1 |
Completeness [%] | 99.5 | 95.8 | 99.7 |
Redundancy | 12.9 | 12.6 | 12.7 |
CC(1/2) | 0.998 | 0.995 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | 200 mM potassium sulfate and 20% PEG-3350 |