4HGR

Crystal structure of E56A/K67A mutant of 2-keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate phosphohydrolase from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-05
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	72.367, 116.765, 75.180
Unit cell angles	90.00, 93.09, 90.00

Refinement procedure

Resolution	50.715 - 2.050
R-factor	0.1926
Rwork	0.190
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e8m
RMSD bond length	0.006
RMSD bond angle	0.922
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.730	2.150
High resolution limit [Å]	2.050	2.050
Number of reflections	76062
<I/σ(I)>	14.12	3.73
Completeness [%]	97.4	92.7
Redundancy	10.66	6.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	100 mM Hepes, 150 mM magnesium chloride, 25% polyethylene glycol 3350, 3% dioxane. The crystal was dragged through paratone prior to flash-cooling, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K