3P5P
Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex with Mg2+ and 13-aza-13,14-dihydrocopalyl diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.945 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.464, 72.414, 206.931 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.094 - 1.816 |
R-factor | 0.1677 |
Rwork | 0.167 |
R-free | 0.20500 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.924 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL2Map |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.120 | 0.530 |
Number of reflections | 75818 | |
<I/σ(I)> | 14.112 | 3.064 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 6.6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | mother liquor: 100 mM Bis-Tris (pH 6.5), 25% polyethylene glycol 3350, 200 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 277K |