6K78

Glycerol kinase form Thermococcus kodakarensis, complex structure with substrate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-15
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.9
Spacegroup name	P 1
Unit cell lengths	66.545, 71.930, 116.049
Unit cell angles	102.90, 94.12, 99.71

Refinement procedure

Resolution	32.194 - 2.301
R-factor	0.2126
Rwork	0.209
R-free	0.27270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.923
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((dev_3071: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	89647	4385
<I/σ(I)>	23.6
Completeness [%]	98.6
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	imidazole, PEG1000, Calcium acetate