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 |