2R6J
Structure of Eugenol Synthase from Ocimum basilicum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.301, 86.049, 76.440 |
Unit cell angles | 90.00, 107.71, 90.00 |
Refinement procedure
Resolution | 33.080 - 1.500 |
Rwork | 0.205 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qw8 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.310 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.120 | 34.120 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.104 | 0.069 | 0.398 |
Total number of observations | 11734 | 9520 | |
Number of reflections | 87251 | ||
<I/σ(I)> | 4.5 | 8.2 | 1.5 |
Completeness [%] | 81.5 | 98 | 34.3 |
Redundancy | 3.2 | 3.4 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M sodium succinate, 21% PEG 3350, 0.3 M KCl, 2 mM dithiothreitol, 5 mM NADP+, pH 5.5, vapor diffusion, hanging drop, temperature 277K |