4MLE

Human Glucokinase in Complex with Novel Amino Thiazole Activator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 65 2 2
Unit cell lengths	79.320, 79.320, 320.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.600
Rwork	0.242
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.065
RMSD bond angle	1.270
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.043	0.305
Number of reflections	18608
<I/σ(I)>	12.1	2.6
Completeness [%]	96.2	89
Redundancy	7.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG1500, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K