3STV
Crystal Structure of tomato Methylketone Synthase I complexed with 3-hydroxyoctanoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL1-5 |
| Synchrotron site | SSRL |
| Beamline | BL1-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97944 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.038, 92.380, 60.596 |
| Unit cell angles | 90.00, 97.56, 90.00 |
Refinement procedure
| Resolution | 19.600 - 2.200 |
| R-factor | 0.222 |
| Rwork | 0.202 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7yas |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.600 | 19.700 | 2.300 |
| High resolution limit [Å] | 2.200 | 6.680 | 2.200 |
| Rmerge | 0.140 | 0.026 | 0.517 |
| Number of reflections | 26450 | 932 | 3295 |
| <I/σ(I)> | 8.85 | 33.12 | 2.49 |
| Completeness [%] | 99.1 | 94.6 | 99.1 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M PIPES-Na+, 22% (w/v) PEG 8000, 0.3M NaBr, 2mM dithiothreitol, 4 hr soak in 1mM 3-hydroxyoctanoate, pH 6.5, vapor diffusion, hanging drop, temperature 277K |
