5V4X

Human glucokinase in complex with novel pyrazole activator.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	48.874, 77.855, 119.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.080
R-factor	0.1973
Rwork	0.195
R-free	0.25030
RMSD bond length	0.010
RMSD bond angle	1.511
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.080	4.760	2.080
Rmerge	0.076	0.042	0.443
Total number of observations	151398
Number of reflections	26923
<I/σ(I)>	12.7
Completeness [%]	95.5	99.7	66.9
Redundancy	5.6	6.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	15% PEG3350, 200 mM ammonium iodide, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K