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 - 1.794
R-factor	0.1783
Rwork	0.174
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q92
RMSD bond length	0.002
RMSD bond angle	0.554
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]	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