4F2U

Structure of the N254Y/H258Y double mutant of the Phosphatidylinositol-Specific Phospholipase C from S.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	2011-08-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	86.220, 56.119, 61.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.854 - 2.190
R-factor	0.1618
Rwork	0.158
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v18
RMSD bond length	0.019
RMSD bond angle	1.703
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((phaser))
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.190	2.190
Rmerge	0.117
<I/σ(I)>	26.49
Completeness [%]	99.9	100
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	22% PEG 4000,0.100 M Hepes, 10% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K