3WWP
S-selective hydroxynitrile lyase from Baliospermum montanum (apo2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-19 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 191.962, 261.581, 91.987 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.990 - 1.900 |
| R-factor | 0.16144 |
| Rwork | 0.160 |
| R-free | 0.19858 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.388 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.990 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 181227 | |
| Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 1.0M Lithium sulfate, 0.1M sodium citrate, 0.5M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
