4U8E

Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase from Streptococcus agalactiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	53.234, 87.968, 90.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.150 - 2.000
R-factor	0.18164
Rwork	0.179
R-free	0.22491
Starting model (for MR)	2ppw
RMSD bond length	0.005
RMSD bond angle	0.934
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	14717
<I/σ(I)>	28.6
Completeness [%]	100.0
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15% polyethylene glycol 10,000, 2% dioxane, and 0.1 M sodium citrate (pH 6.5)