1YYQ
Y305F Trichodiene Synthase complexed with 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 | 2004-06-24 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.10004 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 122.060, 122.060, 150.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| Rwork | 0.239 |
| R-free | 0.26100 |
| 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 | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.086 | 0.424 |
| Number of reflections | 75643 | |
| <I/σ(I)> | 16 | 3.4 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 5 | 5 |
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 |
