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 |