3LKF

LEUKOCIDIN F (HLGB) FROM STAPHYLOCOCCUS AUREUS WITH PHOSPHOCHOLINE BOUND

Experimental procedure

Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	110
Detector technology	CCD
Collection date	1998-06
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	39.970, 48.600, 148.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.900
R-factor	0.199
Rwork	0.199
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PREVIOUSLY DETERMINED STRUCTURE
RMSD bond length	0.010
RMSD bond angle	28.176 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.049 *	0.176 *
Number of reflections	26850
Completeness [%]	97.2	86
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	20 *	pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3000	25-30 (%(w/v))
2	1	reservoir	Tris	0.1 (M)
3	1	drop	protein	4-10 (mg/ml)
4	1	drop	HEPES	30 (mM)
5	1	drop		80 (mM)