6P2D

Structure of mouse ketohexokinase-C in complex with fructose and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-22
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	42.252, 78.446, 150.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.960 - 1.790
Rwork	0.170
R-free	0.22000
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 (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.960	1.860
High resolution limit [Å]	1.790	1.790
Rmerge	0.140	0.300
Rmeas	0.150
Number of reflections	23632	2058
<I/σ(I)>	14.3	6.4
Completeness [%]	97.0	74
Redundancy	1.88
CC(1/2)	0.990	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290.15	1.2 M Ammonium Citrate Tribasic, 20% glycerol, 1.3 M KNO3, 100 mM MgCl2, 220 mM fructose, and 52 mM ADP