1KO7

X-ray structure of the HPr kinase/phosphatase from Staphylococcus xylosus at 1.95 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-05
Detector	ADSC QUANTUM 4
Spacegroup name	H 3 2
Unit cell lengths	152.240, 152.240, 194.686
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 1.950
R-factor	0.226 *
Rwork	0.226
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jb1
RMSD bond length	0.006
RMSD bond angle	23.000 *
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.091 *	0.374 *
Total number of observations	381615 *
Number of reflections	62908	4551 *
<I/σ(I)>	13.5	4.4
Completeness [%]	99.7	99.8
Redundancy	6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *	293	1.6 M SODIUM-POTASSIUM PHOSPHATE PH 7.6, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-20 (mg/ml)
2	1	reservoir	sodium potassium phosphate	1.6 (M)	pH7.6