3GBS
Crystal structure of Aspergillus oryzae cutinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.96785 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 45.299, 45.299, 157.111 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.060 - 1.750 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cex |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.266 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.042 | 0.077 |
| Number of reflections | 19394 | |
| <I/σ(I)> | 8.9 | 5.3 |
| Completeness [%] | 98.5 | 96.2 |
| Redundancy | 5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 30% PEG MME 2000, 0.1M Potassium thiocyanate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
