3BNX
Crystal structure of Aristolochene synthase complexed with farnesyl 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 | 2006-09-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.894, 147.374, 84.206 |
| Unit cell angles | 90.00, 97.72, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| Rwork | 0.240 |
| R-free | 0.27800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2e4o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.099 | 0.574 |
| Number of reflections | 79046 | |
| <I/σ(I)> | 11.3 | 2.15 |
| Completeness [%] | 92.1 | 92.5 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277.15 | 18% PEG 6000, 100 mM Tris (pH 8.5), 0.5 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
