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 |