3GDN
Almond hydroxynitrile lyase in complex with benzaldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-06-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.91010 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.980, 93.790, 86.900 |
| Unit cell angles | 90.00, 106.47, 90.00 |
Refinement procedure
| Resolution | 19.970 - 1.670 |
| Rwork | 0.174 |
| R-free | 0.19700 |
| Starting model (for MR) | 1ju2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.770 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 107944 | |
| <I/σ(I)> | 14.6 | 7.4 |
| Completeness [%] | 87.7 | 89.7 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 20% w/v PEG-4000, 16% v/v isopropanol, pH 7.0, VAPOR DIFFUSION, temperature 298K |
