6KFC
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with cyanide ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 58.590, 58.590, 226.233 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.740 - 2.100 |
R-factor | 0.18961 |
Rwork | 0.187 |
R-free | 0.23171 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kfa |
RMSD bond length | 0.014 |
RMSD bond angle | 1.660 |
Data reduction software | XDS (0.48) |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.2.08) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.740 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.116 | 0.598 |
Rmeas | 0.122 | 0.627 |
Rpim | 0.037 | 0.187 |
Number of reflections | 14405 | 2022 |
<I/σ(I)> | 3 | 5.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.5 | 20.5 |
CC(1/2) | 0.999 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.2 M ammonium sulfate, 0.1 M sodium acetate (pH 5.0), 28-32% (w/v) PEG monomethyl ether 2000, 0.3 M NDSB-195 |