1R59

Enterococcus casseliflavus glycerol kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9788, 0.9791, 0.954, 1.0
Spacegroup name	P 21 21 21
Unit cell lengths	67.829, 107.110, 201.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.500
Rwork	0.221
R-free	0.24300
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	2.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.610
High resolution limit [Å]	2.500	2.500
Rmerge	0.072	0.270
Number of reflections	40746
<I/σ(I)>	9.7	5.4
Completeness [%]	95.3	74.7
Redundancy		4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	PEG400, potassium phosphate, 1,10-phenanthroline, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	PEG400, potassium phosphate, 1,10-phenanthroline, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K