2ITM

Crystal structure of the E. coli xylulose kinase complexed with xylulose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	110
Detector technology	CCD
Collection date	2004-05-09
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	61.883, 112.605, 143.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.850 - 2.100
R-factor	0.204
Rwork	0.201
R-free	0.26300
Structure solution method	MIR
RMSD bond length	0.014
RMSD bond angle	1.332
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.850	30.000
High resolution limit [Å]	2.100	2.100
Number of reflections	58656
Completeness [%]	96.4	89.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	298	Drops containing equal volume of 26 mg/ml protein solution and precipitant solution comprising of 1.5 M ammonium sulfate, 50 mM sodium citrate, 1% w/v t-butanol, suspended over a 1 ml reservoir containing the precipitant solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.00