6KFE
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis (recombinant)
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 | CCD |
Collection date | 2016-03-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 57.924, 57.924, 226.321 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.160 - 2.000 |
R-factor | 0.1598 |
Rwork | 0.157 |
R-free | 0.20513 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kfa |
RMSD bond length | 0.010 |
RMSD bond angle | 1.435 |
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] | 50.160 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.720 | |
Rmeas | 0.765 | |
Rpim | 0.192 | |
Number of reflections | 15329 | 2269 |
<I/σ(I)> | 19.6 | 4.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.8 | 15.2 |
CC(1/2) | 0.950 |
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 |