3WGY
Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with 4-methyl-2-oxovalerate of from Clostridium tetani E88
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.191, 135.536, 60.792 |
| Unit cell angles | 90.00, 110.54, 90.00 |
Refinement procedure
| Resolution | 24.400 - 2.000 |
| Rwork | 0.205 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.455 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
| Rmerge | 0.042 | 0.022 | 0.438 |
| Number of reflections | 48131 | ||
| <I/σ(I)> | 17.6 | ||
| Completeness [%] | 99.9 | 99.5 | 99.9 |
| Redundancy | 4.7 | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | PEG20000, MES, glycerol, 4-methyl-2-oxovalerate, pH 6.0, vapor diffusion, sitting drop, temperature 298K |
