1SCK
K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetone
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 | 2000-09-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8452 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.516, 106.936, 128.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 11.910 - 1.700 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.19400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2yas |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 34698 | |
| <I/σ(I)> | 30.5 | 7.9 |
| Completeness [%] | 95.6 | 97.5 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | ammonium sulfate, PEG 400, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
