3STW
Crystal Structure of tomato Methylketone Synthase I complexed with 2-tridecanone
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 | 2007-08-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.532, 106.915, 60.097 |
| Unit cell angles | 90.00, 96.52, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.310 |
| R-factor | 0.22 |
| Rwork | 0.198 |
| R-free | 0.24530 |
| 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] | 20.000 | 6.680 | |
| High resolution limit [Å] | 2.310 | 5.500 | |
| Rmerge | 0.110 | 0.052 | |
| Number of reflections | 26600 | 888 | 1089 |
| <I/σ(I)> | 13.52 | 22.63 | |
| Completeness [%] | 99.6 | 99.9 | |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M PIPES-Na+, 17% (w/v) PEG 8000, 0.3M NaBr, 2mM dithiothreitol, overnight soak in 1mM 2-tridecanone, pH 6.5, vapor diffusion, hanging drop, temperature 277K |
