3STX
Crystal Structure of tomato Methylketone Synthase I H243A variant complexed with beta-ketoheptanoate
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 | 2007-08-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.237, 94.387, 60.077 |
| Unit cell angles | 90.00, 97.59, 90.00 |
Refinement procedure
| Resolution | 19.370 - 2.300 |
| R-factor | 0.2086 |
| Rwork | 0.205 |
| R-free | 0.27280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7yas |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.111 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.600 | 2.400 | |
| High resolution limit [Å] | 2.300 | 2.300 | |
| Rmerge | 0.118 | 0.531 | |
| Number of reflections | 21096 | 2668 | 2335 |
| <I/σ(I)> | 11.19 | 2.75 | |
| Completeness [%] | 88.8 | 94.2 | |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1M MOPSO-Na+, 15% (w/v) PEG 8000, 0.3M NaBr, 2mM dithiothreitol, overnight soak in 1mM beta-ketoheptanoate, pH 7.0, vapor diffusion, hanging drop, temperature 277K |
