3CKE
Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.534, 146.842, 84.110 |
| Unit cell angles | 90.00, 97.87, 90.00 |
Refinement procedure
| Resolution | 56.300 - 2.400 |
| Rwork | 0.245 |
| R-free | 0.29000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2e4o |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.300 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.095 | 0.649 |
| Number of reflections | 57488 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 99.6 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | VAPOR DIFFUSION, HANGING DROP, temperature 277K |
