4I9T

Structure of the H258Y mutant of the 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]	100
Detector technology	IMAGE PLATE
Collection date	2012-05-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	85.587, 57.829, 60.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.630 - 2.000
R-factor	0.1786
Rwork	0.176
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v1h
RMSD bond length	0.020
RMSD bond angle	1.982
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.076	0.464
Number of reflections	194097
<I/σ(I)>	47.427	7.441
Completeness [%]	99.5	96
Redundancy	9.2	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	22% PEG 4000, 0.1M HEPES, 10% isopropanol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K