2PS4
N225D trichodiene synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 123.372, 123.372, 151.806 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 87.370 - 2.460 |
| Rwork | 0.244 |
| R-free | 0.28200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jfa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.370 | 2.590 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.082 | 0.399 |
| Number of reflections | 46906 | |
| <I/σ(I)> | 12.3 | 2 |
| Completeness [%] | 95.9 | 98 |
| Redundancy | 3.8 | 3.8 |
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 |
