5L51
Menthone neomenthol reductase from Mentha piperita
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 79.019, 79.019, 254.467 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.818 - 2.660 |
R-factor | 0.237 |
Rwork | 0.234 |
R-free | 0.29210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o26 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.473 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2386: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.460 | 2.730 |
High resolution limit [Å] | 2.660 | 2.660 |
Rmerge | 0.218 | |
Rpim | 0.067 | |
Number of reflections | 12108 | |
<I/σ(I)> | 7.8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.3 | 12.1 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277.15 | 0.1M imidazole pH 8 and 1M sodium citrate |