3VQJ
Crystal Structutre of Thiobacillus thioparus THI115 Carbonyl Sulfide Hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2009-10-30 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.97800 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 90.239, 90.239, 104.976 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.200 |
| R-factor | 0.1353 |
| Rwork | 0.135 |
| R-free | 0.16980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.063 | 0.315 |
| Number of reflections | 67414 | |
| <I/σ(I)> | 35.6 | 7.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.3 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.2M AMMONIUM SULFATE, 200mM SODIIUM CHLORIDE, 30% GLYCEROL, 100mM TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
