1UN8

Crystal structure of the dihydroxyacetone kinase of C. freundii (native form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	100
Spacegroup name	C 2 2 21
Unit cell lengths	100.440, 124.590, 237.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.500
R-factor	0.2
Rwork	0.196
R-free	0.24500 *
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.432 *
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.500
Rmerge	0.066	0.361 *
Number of reflections	50187
<I/σ(I)>	14.4
Completeness [%]	96.8	83.7 *
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30-50 (mg/ml)
2	1	drop	HEPES	5 (mM)	pH7.5
3	1	drop	dithiothreitol	2 (mM)
4	1	reservoir	HEPES	100 (mM)	pH7.3
5	1	reservoir		50 (mM)
6	1	reservoir	PEG3000	9 (%(w/v))
7	1	reservoir	glycerol	25 (%(v/v))