1YYU
D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene
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 4 |
| Wavelength(s) | 0.9764 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 122.490, 122.490, 150.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.950 |
| Rwork | 0.218 |
| R-free | 0.25500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kiz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| 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 | 0.093 | 0.412 |
| Number of reflections | 27593 | |
| <I/σ(I)> | 21.4 | 3 |
| Completeness [%] | 97.6 | 97 |
| Redundancy | 4.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | PEG 8000, SODIUM HEPES, CALCIUM CHLORIDE , pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
