4HGQ

Crystal structure of E56A 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	2009-07-28
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 2 2 21
Unit cell lengths	88.941, 94.116, 161.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.100 - 2.280
R-factor	0.1971
Rwork	0.195
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e8m
RMSD bond length	0.007
RMSD bond angle	1.015
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.100	2.370
High resolution limit [Å]	2.280	2.280
Number of reflections	62511
<I/σ(I)>	11.6	2.2
Completeness [%]	99.9	100
Redundancy	6.21	4.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	100 mM Bis-Tris, 200 mM magnesium chloride, 23% polyethylene glycol 3350. The crystal was dragged through paratone prior to flash-cooling, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K