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 |