4FWR
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with CMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-04 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.252, 111.252, 66.598 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 3.000 |
R-factor | 0.2115 |
Rwork | 0.210 |
R-free | 0.25040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e1y |
RMSD bond length | 0.006 |
RMSD bond angle | 0.939 |
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 | 3.110 |
High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
Rmerge | 0.124 | 0.039 | 0.583 |
Number of reflections | 9701 | ||
<I/σ(I)> | 14.3 | ||
Completeness [%] | 98.9 | 99.8 | 94.2 |
Redundancy | 10.5 | 11 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1M Bis-Tris pH 6.0, 35% pentaerythritol ethoxylate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |