2R2G
Structure of Eugenol Synthase from Ocimum basilicum complexed with EMDF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.763, 86.197, 76.933 |
| Unit cell angles | 90.00, 107.40, 90.00 |
Refinement procedure
| Resolution | 44.090 - 1.800 |
| Rwork | 0.248 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qyc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.280 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.151 | 44.150 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.109 | 0.065 | 0.341 |
| Total number of observations | 6938 | 16217 | |
| Number of reflections | 57391 | ||
| <I/σ(I)> | 4.5 | 7.7 | 2.1 |
| Completeness [%] | 92.1 | 96.4 | 82.6 |
| Redundancy | 2.9 | 3.5 | 2.2 |
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 |
