2E1Y
Crystal structure of propionate kinase (TdcD) from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-11-29 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 110.811, 110.811, 66.533 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.600 |
| R-factor | 0.2022 |
| Rwork | 0.200 |
| R-free | 0.25311 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1x3m |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.932 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.101 | 0.450 |
| Number of reflections | 14818 | |
| <I/σ(I)> | 9.7 | 2.2 |
| Completeness [%] | 98.3 | 84.3 |
| Redundancy | 33.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch method | 6.5 | 293 | 0.1 Bis-Tris pH 6.5, 30% (v/v) pentaerythritol ethoxylate (15/4 EO/OH), Microbatch method, temperature 293K |
