2OA6
Aristolochene synthase from Aspergillus terreus complexed with pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.920, 147.499, 82.571 |
| Unit cell angles | 90.00, 96.71, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| Rwork | 0.229 |
| R-free | 0.27300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2e4o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.075 | 0.650 |
| Number of reflections | 70847 | |
| <I/σ(I)> | 22.7 | 2.1 |
| Completeness [%] | 90.5 | 90.2 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100mM Tris, 18% PEG 6000, 0.5M NaCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
