8OMK

hKHK-C in complex with ADP & fructose 1-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-05
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541780
Spacegroup name	P 21 21 21
Unit cell lengths	82.809, 85.818, 137.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 2.480
R-factor	0.201
Rwork	0.200
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.800	2.485
High resolution limit [Å]	2.477	2.477
Rmerge	0.088	0.719
Rpim	0.047	0.423
Number of reflections	34361	309
<I/σ(I)>	15.2	2.1
Completeness [%]	96.7	87.3
Redundancy	6.6
CC(1/2)	1.000	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	2 M ammonium sulphate