3IMX

Crystal Structure of human glucokinase in complex with a synthetic activator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-01
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	45.500, 90.300, 116.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 2.000
Rwork	0.195
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v4s
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.2)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.106	0.413
Number of reflections	32450
<I/σ(I)>	11.8
Completeness [%]	96.8	82.1
Redundancy	5	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	PROTEIN: 10MG/ML IN 20MM TRIS PH 7.5, 50MM NACL, 5MM TCEP, 20MM GLUCOSE 300UM LBX192 WELL: 4C 100MM HEPES PH 6.0 20% PEG 3350 200MM NACL CRYO: WELL PLUS 20% GLYCEROL + 100UM LBX192, VAPOR DIFFUSION, SITTING DROP, temperature 277K