6UL7

Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-12
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	106.870, 106.870, 79.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 2.300
Rwork	0.229
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q92
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.790	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	20332	1568
<I/σ(I)>	18.5	4.5
Completeness [%]	97.0	76
Redundancy	46.4
CC(1/2)	0.970	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	290.15	0.1 M Bis-Tris, pH 5.5, 2 M ammonium sulfate, 1.3 M potassium nitrate, 100 mM magnesium chloride, 220 mM fructose, 3.8 mM osthole