3EA2

Crystal Structure of the Myo-inositol bound Y247S/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	2005-11-01
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
Unit cell lengths	59.518, 97.226, 112.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.950
Rwork	0.189
R-free	0.22600
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	2.000
High resolution limit [Å]	1.950	4.810	1.950
Rmerge	0.087	0.070	0.348
Number of reflections	45672
<I/σ(I)>	14.5
Completeness [%]	93.9	99.5	100
Redundancy	6.9	6.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	290	9% PEG 8000, 0.2M Zinc Acetate, 0.1M Sodium Cacodylate, pH 6.5, vapor diffusion, temperature 290K