2QK7

A covalent S-F heterodimer of staphylococcal gamma-hemolysin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Collection date	2005-02-16
Wavelength(s)	0.9330
Spacegroup name	P 61
Unit cell lengths	140.000, 140.000, 73.078
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.1825
Rwork	0.180
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb entries 1LKF 1t5r
RMSD bond length	0.024
RMSD bond angle	2.028
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.500	2.530
High resolution limit [Å]	2.400	2.400
Number of reflections	32122
<I/σ(I)>	8	2.3
Completeness [%]	100.0	100
Redundancy	7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	285	covalent complex concentrated to 9 mg/ml in 50 mM MES-NaOH, 50 mM NaCl, pH 6.5. Needle and rod shape like crystals obtained in drops prepared by mixing two volumes of protein and one volume of reservoir solution containing 10% polyethylene glycol 8000, 0.05 M Na citrate, pH 5.5. Reservoir volumes of 500 mul used, VAPOR DIFFUSION, SITTING DROP, temperature 285K