1UN9

Crystal structure of the dihydroxyacetone kinase from C. freundii in complex with AMP-PNP and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	100.788, 124.869, 236.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 3.100
R-factor	0.237
Rwork	0.237
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.400
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.180
High resolution limit [Å]	3.100	3.100
Rmerge	0.086	0.310
Number of reflections	25784
<I/σ(I)>	9.3	6.5
Completeness [%]	87.4	86
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.50