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 |