3VGK

Crystal structure of a ROK family glucokinase from Streptomyces griseus

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 1 21 1
Unit cell lengths	98.690, 173.700, 124.030
Unit cell angles	90.00, 106.69, 90.00

Refinement procedure

Resolution	20.000 - 3.250
R-factor	0.2119
Rwork	0.206
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vgm
RMSD bond length	0.014
RMSD bond angle	1.449
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		3.330
High resolution limit [Å]	3.250	14.530	3.250
Rmerge	0.113	0.045	0.829
Rmeas		0.052	0.954
Number of reflections	60768	425	4576
<I/σ(I)>	10.15	25.39	2.14
Completeness [%]	96.3	57.2	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M Tris-HCl (pH 7.5), 16% PEG 3350, 0.2M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K