3H4X

Structure of a Ca+2 dependent Phosphatidylinositol-specific phospholipase C (PI-PLC) Enzyme from Streptomyces antibioticus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.82653
Spacegroup name	P 21 21 2
Unit cell lengths	51.968, 154.819, 41.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.970 - 1.230
R-factor	0.174
Rwork	0.173
R-free	0.19000
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.988
Data reduction software	MOSFLM
Data scaling software	SCALA (CCP4_3.2.25)
Refinement software	REFMAC (refmac_5.5.0068)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.990	1.300
High resolution limit [Å]	1.230	1.230
Rmerge	0.049	0.260
Total number of observations		100339
Number of reflections	97776
<I/σ(I)>	8.2141	3
Completeness [%]	99.9	100
Redundancy	7.28	7.11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	21% PEG 10000, 85mM sodium acetate pH 4.6, 170mM ammonium acetate, 9% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K