1X3N

Crystal structure of AMPPNP bound Propionate kinase (TdcD) from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-11-04
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	111.275, 111.275, 66.813
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.560 - 2.300
Rwork	0.197
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TdcD bound with ADP
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	0.458
Number of reflections	20613
<I/σ(I)>	23.37	2.84
Completeness [%]	99.5	96.7
Redundancy	32.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	PEGMME500, PEGMME2000, PEGMME5000, Bis-Tris, Pentaerythritol ethoxylate, pH 6.5, VAPOR DIFFUSION, temperature 291K