4U8F

Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase complexed with a tartrate

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	2011-12-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	92.955, 92.955, 129.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.080 - 1.550
R-factor	0.19892
Rwork	0.198
R-free	0.21125
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u8e
RMSD bond length	0.004
RMSD bond angle	0.932
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.550
Number of reflections	82052
<I/σ(I)>	47.3
Completeness [%]	99.4
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.0 M ammonium sulfate, 0.2 M potassium sodium tartrate, and 0.1 M sodium citrate (pH 5.6)