6E0E

Crystal structure of Glucokinase in complex with compound 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-10-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	79.570, 79.570, 320.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.950 - 2.700
R-factor	0.20718
Rwork	0.203
R-free	0.27659
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.545
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.950	2.850
High resolution limit [Å]	2.700	2.700
Number of reflections	16310
<I/σ(I)>	10.7
Completeness [%]	93.1
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M Hepes pH7.0, 27% PEG1500