1N1B
Crystal Structure of (+)-Bornyl Diphosphate Synthase from Sage
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-12-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.08 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 102.060, 116.770, 120.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.830 - 2.000 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.23400 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 18.500 * |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.051 * | |
Total number of observations | 633848 * | |
Number of reflections | 97291 | |
<I/σ(I)> | 33.9 | 4 |
Completeness [%] | 99.8 | 97.1 |
Redundancy | 11.6 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 * | 21 * | PEG 8000, glycerol, bis-Tris, magnesium chloride, potassium mercury thiocyanate, 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 |