5LCX
Isopiperitenone reductase from Mentha piperita in complex with NADP
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 | 2015-07-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9725 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.180, 65.410, 94.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.810 - 1.709 |
R-factor | 0.1402 |
Rwork | 0.139 |
R-free | 0.16630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o26 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.241 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2386: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.410 | 1.740 |
High resolution limit [Å] | 1.709 | 1.709 |
Rmerge | 0.050 | 0.158 |
Number of reflections | 41295 | |
<I/σ(I)> | 21.2 | |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 5.8 | 4.9 |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 0.06M Divalents (0.3M Magnesium chloride hexahydrate; 0.3M Calcium chloride dihydrate), 0.1M Buffer system 3 pH 8.5 (1M Tris (base); BICINE), 50% Precipitant Mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350) |