2PAK

Structure of a H51N mutant dTDP-4-keto-6-deoxy-D-glucose-3,4-ketoisomerase from Aneurinibacillus thermoaerophilus complexed with TDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-14
Detector	Bruker Platinum 135
Spacegroup name	P 41 21 2
Unit cell lengths	61.300, 61.300, 201.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.213
Rwork	0.207
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 2PA7
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	EPMR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.390
Rmerge	0.096	0.422
Number of reflections	15617
<I/σ(I)>	15.7	2.3
Completeness [%]	97.5	90.7
Redundancy	9.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	18% PEG 3400, 150mM LiCl, 100mM CHES, 10mM TDP, 20mM fucose, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K