3VGL

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

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	I 2 2 2
Unit cell lengths	69.580, 87.730, 125.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.550
R-factor	0.1786
Rwork	0.177
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vgm
RMSD bond length	0.011
RMSD bond angle	1.308
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		1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.051	0.039	0.346
Rmeas		0.043	0.445
Number of reflections	53724	660	2894
<I/σ(I)>	20.14	38.71	2.68
Completeness [%]	96.0	93.2	70.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	0.1M Tris-HCl, 0.75M sodium citrate, 0.2M NaCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K