4S3G

Structure of the F249X mutant of Phosphatidylinositol-specific phospholipase C from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2014-09-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	60.050, 60.050, 191.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.260 - 2.500
R-factor	0.2155
Rwork	0.212
R-free	0.29060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.337
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.260	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	12823
Completeness [%]	99.7	100
Redundancy		4.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	22% PEG 4000, 0.15 M ammonium acetate, 0.1 M sodium acetate, 0.01M magnesium nitrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K, temperature 277.0K