1SC9
Hydroxynitrile Lyase from Hevea brasiliensis in complex with the natural substrate acetone cyanohydrin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-06-08 |
Detector | MARRESEARCH |
Wavelength(s) | 0.91 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 47.393, 106.455, 127.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.410 - 1.800 |
R-factor | 0.167 |
Rwork | 0.167 |
R-free | 0.18900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2yas |
RMSD bond length | 0.006 |
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] | 30.000 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 30106 | |
<I/σ(I)> | 19.4 | 6.1 |
Completeness [%] | 99.1 | 96.9 |
Redundancy | 4.1 |
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 |