5OEX
Complex with iodine ion for thiocyanate dehydrogenase from Thioalkalivibrio paradoxus
Replaces: 5F30Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.900 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.820, 159.450, 91.000 |
Unit cell angles | 90.00, 97.77, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.15784 |
Rwork | 0.156 |
R-free | 0.19841 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5F30 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.018 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rpim | 0.155 | 0.861 |
Number of reflections | 124180 | 9243 |
<I/σ(I)> | 11.5 | 2.35 |
Completeness [%] | 93.7 | 94.5 |
Redundancy | 6 | 6 |
CC(1/2) | 0.996 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 296 | PROTEIN SOLUTION: 10 MG/ML PROTEIN, 25 MM BORATE BUFFER (PH 9.5). PRECIPITANT SOLUTION: 0.025 M AMMONIUM IODIDE, 20.0 % W/V PEG 3350. VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 296K |