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 |