1KIZ
D100E trichodiene synthase complexed with pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-14 |
| Detector | SBC-2 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 122.723, 122.723, 151.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 * - 2.600 |
| R-factor | 0.223 * |
| Rwork | 0.219 |
| R-free | 0.25600 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PDB CODE 1JFG |
| RMSD bond length | 0.007 |
| RMSD bond angle | 19.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.590 |
| Rmerge | 0.081 * | 0.237 * |
| Total number of observations | 246608 * | |
| Number of reflections | 41214 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | Rynkiewicz, M.J., (2001) Proc.Natl.Acad.Sci.U.S.J., 98, 13543. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 20 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH6.9 |
| 3 | 1 | reservoir | 50 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 6-10 (%(w/v)) |
