1YYT
D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-08-05 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 122.703, 122.703, 151.297 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.000 - 2.900 |
| Rwork | 0.225 |
| R-free | 0.26900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kiz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.098 | 0.393 |
| Number of reflections | 31744 | |
| <I/σ(I)> | 16.7 | 3.1 |
| Completeness [%] | 97.2 | 93.6 |
| Redundancy | 3.6 |
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 |
