4FWM
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-11-29 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.435, 111.435, 66.753 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.950 |
| R-factor | 0.2366 |
| Rwork | 0.234 |
| R-free | 0.29090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e1y |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.987 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.060 |
| High resolution limit [Å] | 2.950 | 6.350 | 2.950 |
| Rmerge | 0.064 | 0.028 | 0.519 |
| Number of reflections | 10303 | ||
| <I/σ(I)> | 19.1 | ||
| Completeness [%] | 99.2 | 99.3 | 97.7 |
| Redundancy | 8 | 8.7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1 M Bis-Tris pH 6.0, 30% hexanediol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
