1SCQ
K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetonecyanohydrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-03-11 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.542, 107.055, 128.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.980 - 2.900 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.29100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2yas |
| RMSD bond length | 0.007 |
| 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] | 10.000 | 2.790 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 8029 | |
| <I/σ(I)> | 7.7 | 1.9 |
| Completeness [%] | 87.7 | 89.8 |
| Redundancy | 2.7 |
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 |
