2Q9Z
Trichodiene synthase: Complex with inorganic pyrophosphate resulting from the reaction with 2-fluorofarnesyl diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-19 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97640 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 122.191, 122.191, 150.969 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.950 |
Rwork | 0.217 |
R-free | 0.25900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1jfg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
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 | 3.060 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.124 | 0.497 |
Number of reflections | 27237 | |
<I/σ(I)> | 18 | 2.9 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 5.8 | 5.8 |
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 |