2VAR

Crystal structure of Sulfolobus solfataricus 2-keto-3-deoxygluconate kinase complexed with 2-keto-3-deoxygluconate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 65 2 2
Unit cell lengths	104.553, 104.553, 420.782
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.660 - 2.100
R-factor	0.183
Rwork	0.181
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.700
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.500	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.080	0.310
Number of reflections	80339
<I/σ(I)>	15.7	4
Completeness [%]	99.8	99.5
Redundancy	6.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1