4NEK
Putative enoyl-CoA hydratase/carnithine racemase from Magnetospirillum magneticum AMB-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97912 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.285, 156.683, 79.297 |
Unit cell angles | 90.00, 113.81, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.300 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.20730 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.581 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.147 | 0.026 | 0.868 |
Number of reflections | 74539 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 99.3 | 99.8 | 93.1 |
Redundancy | 5.1 | 5.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG550 30%, 0.05 M Magnesium chloride hexahydrate, HEPES 0.1M pH 7.5, 1.5 M NaCl, vapor diffusion, sitting drop, temperature 293K |