3EA3

Crystal Structure of the Y246S/Y247S/Y248S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-01
Wavelength(s)	1.1000
Spacegroup name	P 1
Unit cell lengths	47.666, 56.352, 59.852
Unit cell angles	92.36, 99.38, 113.21

Refinement procedure

Resolution	50.000 - 1.780
Rwork	0.185
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.5)
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.780	4.390	1.780
Rmerge	0.054	0.035	0.355
Number of reflections	51149
<I/σ(I)>	17.3
Completeness [%]	95.4	97.1	92.8
Redundancy	2	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	290	10% PEG 8000, 0.1M MnCl2, 50mM MOPS, pH 6.5, vapor diffusion, temperature 290K