4FWQ
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-05-04 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 110.276, 110.276, 66.552 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.650 |
| R-factor | 0.2219 |
| Rwork | 0.219 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e1y |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.917 |
| 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 | 2.740 |
| High resolution limit [Å] | 2.650 | 5.710 | 2.650 |
| Rmerge | 0.097 | 0.049 | 0.495 |
| Number of reflections | 13746 | ||
| <I/σ(I)> | 14.3 | ||
| Completeness [%] | 99.2 | 99.8 | 97.2 |
| Redundancy | 11.5 | 12 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M Bis-Tris pH 6.5, 30% pentaerythritol ethoxylate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
