6LQY
Crystal complex of endo-deglycosylated hydroxynitrile lyase isozyme 5 of Prunus communis with benzaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.564, 91.463, 130.844 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.350 - 1.598 |
R-factor | 0.1647 |
Rwork | 0.163 |
R-free | 0.18890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eb4 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.890 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.598 | 1.600 |
Number of reflections | 79552 | 79552 |
<I/σ(I)> | 48.5 | |
Completeness [%] | 100.0 | |
Redundancy | 12.9 | |
CC(1/2) | 0.988 | 0.954 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Tris-bicine, 100 mM, pH 8.5; CaCl2, 60 mM; MgCl2, 60 mM; PEG 500MME, 20%, v/v; PEG 20000, 10%, w/v |