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 |
