3BNY
Crystal structure of aristolochene synthase complexed with 2-fluorofarnesyl diphosphate (2F-FPP)
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 | 61.654, 147.862, 83.954 |
| Unit cell angles | 90.00, 97.84, 90.00 |
Refinement procedure
| Resolution | 22.330 - 1.890 |
| Rwork | 0.224 |
| R-free | 0.26400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2e4o |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.080 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.073 | 0.502 |
| Number of reflections | 104421 | |
| <I/σ(I)> | 12.3 | 3.2 |
| Completeness [%] | 88.2 | 77.9 |
| Redundancy | 4.4 | 4.5 |
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 |
