1N22
(+)-Bornyl Diphosphate Synthase: Complex with Mg, pyrophosphate, and (4R)-7-aza-7,8-dihydrolimonene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.670, 117.990, 120.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.140 - 2.400 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.25500 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1n1b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 18.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 57537 | |
| <I/σ(I)> | 16 | 4.7 |
| Completeness [%] | 99.1 | 91.4 |
| Redundancy | 8.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 * | 21 * | PEG 8000, glycerol, bis-tris, magnesium chloride, dithiothreitol, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 8 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 1 (mM) | |
| 3 | 1 | drop | Bis-Tris | 20 (mM) | pH6.8 |
| 4 | 1 | reservoir | PEG8000 | 10 (%(w/v)) | |
| 5 | 1 | reservoir | glycerol | 15 (%(v/v)) | |
| 6 | 1 | reservoir | dithiothreitol | 2 (mM) | or 1mM potassium mercury thiocyanate |
| 7 | 1 | reservoir | 220 (mM) | ||
| 8 | 1 | reservoir | Bis-Tris | 0.1 (M) | pH6.6 |
