5F75
Thiocyanate dehydrogenase from Thioalkalivibrio paradoxus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.780, 95.420, 107.000 |
| Unit cell angles | 90.00, 100.66, 90.00 |
Refinement procedure
| Resolution | 49.000 - 2.000 |
| R-factor | 0.18832 |
| Rwork | 0.186 |
| R-free | 0.24396 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5F30 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.764 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.660 |
| Number of reflections | 124334 | |
| <I/σ(I)> | 11.9 | 2.2 |
| Completeness [%] | 94.0 | 97 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 287 | Prot: 10 mg/ml prot, 25 mM borate buffer (pH 9.0), 150 mM NaCl. Prec: 0.04 M potassium dihydrogen phosphate, 16 % w/v PEG 8000, 20 % glycerol. Vprot/Vprec=1/1 |
