3P5R
Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex with Mg2+ and 2-fluorogeranylgeranyl 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) | 1.008 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.050, 201.980, 81.431 |
| Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
| Resolution | 43.409 - 2.247 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.24980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID: 3P5P |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.853 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.130 | 0.454 |
| Number of reflections | 70530 | |
| <I/σ(I)> | 5.681 | 2.194 |
| Completeness [%] | 85.4 | 86.9 |
| Redundancy | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 100 mM HEPES (pH 7.0), 20% polyethylene glycol 3350, 200 mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
