6SW6
Crystal structure R264H mutant of the human S-adenosylmethionine synthetase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-27 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.558, 83.619, 87.562 |
Unit cell angles | 90.00, 107.99, 90.00 |
Refinement procedure
Resolution | 51.870 - 2.850 |
R-factor | 0.262 |
Rwork | 0.261 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2obv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.152 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.870 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.189 | 0.942 |
Rmeas | 0.211 | |
Rpim | 0.092 | 0.447 |
Number of reflections | 17484 | 2499 |
<I/σ(I)> | 5.1 | 1.5 |
Completeness [%] | 99.3 | 97.9 |
Redundancy | 5.1 | 5.2 |
CC(1/2) | 0.974 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 200 mM NaF, 20 % PEG 3350 and 15 % ethylene glycol |