3VGM

Crystal structure of a ROK family glucokinase from Streptomyces griseus in complex with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2008-10-17
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00000
Spacegroup name	P 64 2 2
Unit cell lengths	108.190, 108.190, 141.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.840
R-factor	0.1683
Rwork	0.167
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aa4
RMSD bond length	0.014
RMSD bond angle	1.286
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		1.890
High resolution limit [Å]	1.840	8.230	1.840
Rmerge	0.041	0.024	0.330
Rmeas		0.026	0.365
Number of reflections	42812	533	3094
<I/σ(I)>	32.89	77.22	4.31
Completeness [%]	99.8	90.2	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	293	0.9M K/Na tartrate, 0.2M NaCl, 0.1M imidazole , pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K