2Q9Y
Trichodiene synthase: Complex with Mg, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.99 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 122.488, 122.488, 150.494 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.850 |
Rwork | 0.216 |
R-free | 0.26500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1jfg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.230 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.088 | 0.616 |
Number of reflections | 27213 | |
<I/σ(I)> | 2.6 | 2.6 |
Completeness [%] | 94.4 | |
Redundancy | 4.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | HEPES, PEG 8000, Calcium chloride, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |