6XEX
Structure of Serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A/V139Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-28 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 108.800, 108.800, 83.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.025 - 1.800 |
| Rwork | 0.160 |
| R-free | 0.20950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ni5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.612 |
| Data scaling software | PROTEUM PLUS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.025 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 46796 | 6911 |
| <I/σ(I)> | 21.68 | 1.91 |
| Completeness [%] | 100.0 | |
| Redundancy | 16.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium malonate, pH 6-7, 6-15% w/v PEG3350 |
