2PS8
Y295F Trichodiene Synthase: Complex With Mg and Pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.10000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 122.272, 122.272, 150.474 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.670 |
| Rwork | 0.203 |
| R-free | 0.24500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jfg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| 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 | 2.770 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.099 | 0.577 |
| Number of reflections | 37344 | |
| <I/σ(I)> | 29.3 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.6 | 9.9 |
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 |
