3QPD
Structure of Aspergillus oryzae cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-05 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.77009 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 45.078, 45.078, 157.711 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.895 - 1.571 |
| R-factor | 0.1607 |
| Rwork | 0.160 |
| R-free | 0.18440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.570 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.900 | 1.630 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Number of reflections | 26363 | |
| Completeness [%] | 98.9 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 30% PEG2KMME, 0.1M Potassium Thiocyanate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
