4FWL

Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with Phosphate (PO4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-07-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	113.477, 113.477, 66.794
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.2367
Rwork	0.235
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e1y
RMSD bond length	0.006
RMSD bond angle	0.886
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	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.075	0.041	0.568
Number of reflections	19603
<I/σ(I)>	16.2
Completeness [%]	99.7	99.6	100
Redundancy	13.7	13.8	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M Bis-Tris pH 6.5, 45% Pentaerythritol ethoxylate, VAPOR DIFFUSION, HANGING DROP, temperature 298K