1DWP
Crystal Structure of Hydroxynitrile Lyase from Manihot esculenta at 2.2 Angstrom Resolution
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 |
Detector | MARRESEARCH |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 106.600, 106.600, 189.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 2.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.8) |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.068 | |
Number of reflections | 54180 | |
<I/σ(I)> | 7.8 | 3.2 |
Completeness [%] | 99.2 | 93 |
Redundancy | 3.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.4 | 0.1 M NACITRAT, PH 5.4, 6% PEG 8000, 28% MPD |