6KFA
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 58.247, 58.247, 224.978 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.440 - 1.500 |
| R-factor | 0.17456 |
| Rwork | 0.174 |
| R-free | 0.18686 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.256 |
| Data reduction software | XDS (0.48) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | SHELXCD (2015/2) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.440 | 1.690 |
| High resolution limit [Å] | 1.500 | 1.600 |
| Rmerge | 0.046 | 0.229 |
| Rmeas | 0.229 | |
| Rpim | 0.073 | |
| Number of reflections | 35572 | 4460 |
| <I/σ(I)> | 26.5 | 9.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.4 | 11.6 |
| CC(1/2) | 0.989 |
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 |
