5ZW9

Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-06-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	65.110, 72.890, 107.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.330 - 2.600
R-factor	0.22697
Rwork	0.224
R-free	0.28923
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ddm
RMSD bond length	0.005
RMSD bond angle	1.038
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.890	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.130	0.480
Rmeas	0.150	0.530
Rpim	0.060	0.220
Number of reflections	14688	2274
<I/σ(I)>	9.9
Completeness [%]	90.1	98.1
Redundancy	5.6	5.6
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293	20% PEG 4000, 10% 2-propanol, 100 mM HEPES pH 7.5