6CSJ
Structure of a Bacillus coagulans polyol dehydrogenase double mutant with an acquired D-lactate dehydrogenase activity
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 | 2014-06-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 211.672, 211.772, 149.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 149.710 - 2.395 |
| Rwork | 0.237 |
| R-free | 0.26870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kq3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.274 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158 2016/10/03) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 149.710 | 2.440 |
| High resolution limit [Å] | 2.390 | 2.400 |
| Rmerge | 0.136 | 0.494 |
| Rmeas | 0.148 | 0.539 |
| Rpim | 0.057 | 0.210 |
| Number of reflections | 126258 | 6252 |
| <I/σ(I)> | 5.1 | 2.3 |
| Completeness [%] | 96.1 | 97.2 |
| Redundancy | 6.3 | 6.2 |
| CC(1/2) | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.2M Ammonium citrate dibasic, 10% (w/v) PEG3350 |
