2PS7
Y295F trichodiene synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.91756 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 122.431, 122.431, 151.289 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.350 |
Rwork | 0.233 |
R-free | 0.25800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1jfa |
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 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.109 | 0.574 |
Number of reflections | 54010 | |
<I/σ(I)> | 14.1 | 3 |
Completeness [%] | 98.2 | 97.8 |
Redundancy | 6.2 | 5.8 |
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 |