2JG1

STRUCTURE OF Staphylococcus aureus D-TAGATOSE-6-PHOSPHATE KINASE with cofactor and substrate

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 21 21 21
Unit cell lengths	95.200, 97.090, 154.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.850 - 2.000
R-factor	0.192
Rwork	0.190
R-free	0.23400
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.234
Data scaling software	XSCALE
Phasing software	XPREP
Refinement software	REFMAC (5.3.0011)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.800	2.120
High resolution limit [Å]	2.000	2.000
Rmerge	0.090	0.620
Number of reflections	96948
<I/σ(I)>	7.6	1.2
Completeness [%]	99.8	99.8
Redundancy	10.9	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.2 M MAGNESIUM ACETATE TETRAHYDRATE, 0.1 M SODIUM CACODYLATE PH 6.5, 10% PEG 8000, 15% PEG 550, 10 MM ATP.