3VYG
Crystal structure of Thiocyanate hydrolase mutant R136W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2011-12-17 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.448, 172.398, 172.531 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.960 - 1.720 |
| R-factor | 0.18899 |
| Rwork | 0.187 |
| R-free | 0.21771 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dd5 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.311 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.062 | 0.256 |
| Number of reflections | 325674 | |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 96.5 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 0.1M potassium phosphate pH 6.8, 1.4M potassium phosphate tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
