4FJQ
Crystal Structure of an alpha-Bisabolol synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.997, 77.326, 68.782 |
| Unit cell angles | 90.00, 102.50, 90.00 |
Refinement procedure
| Resolution | 39.220 - 2.000 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eat |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.998 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.087 | 0.041 | 0.523 |
| Number of reflections | 35037 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 97.2 | 98.7 | 94.7 |
| Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.8 | 277 | 0.1 M Hepes, 29% PEG3000, pH 7.8, vapor diffusion, temperature 277K |
