4FWS
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with CTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-05-30 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 110.661, 110.661, 66.544 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.690 |
R-factor | 0.2404 |
Rwork | 0.238 |
R-free | 0.28420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e1y |
RMSD bond length | 0.005 |
RMSD bond angle | 0.895 |
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 | 2.800 |
High resolution limit [Å] | 2.690 | 5.810 | 2.700 |
Rmerge | 0.116 | 0.078 | 0.347 |
Number of reflections | 12988 | ||
<I/σ(I)> | 37.5 | ||
Completeness [%] | 97.3 | 96.8 | 98.6 |
Redundancy | 6.5 | 9.1 | 6.3 |
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 |