6FBO
Human Methionine Adenosyltransferase II mutant (S114A) in I222 crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.621, 94.682, 116.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.280 - 1.800 |
R-factor | 0.15215 |
Rwork | 0.151 |
R-free | 0.17436 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a1i |
RMSD bond length | 0.014 |
RMSD bond angle | 1.671 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.280 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.170 | 0.766 |
Rmeas | 0.208 | 0.940 |
Rpim | 0.119 | 0.538 |
Number of reflections | 34507 | 2037 |
<I/σ(I)> | 5.8 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.3 | 5.4 |
CC(1/2) | 0.979 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 30% PEG600 0.1M HEPES pH.7.0 |