4X92

Crystal structure of Lysosomal Phospholipase A2-S165A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97937
Spacegroup name	F 41 3 2
Unit cell lengths	257.239, 257.239, 257.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.000
R-factor	0.19
Rwork	0.188
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x90
RMSD bond length	0.009
RMSD bond angle	1.349
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.050
High resolution limit [Å]	3.000	8.090	3.000
Rmerge	0.217	0.078	0.930
Rmeas	0.230	0.086
Rpim	0.098	0.036	0.428
Total number of observations	83833
Number of reflections	14922
<I/σ(I)>	3.9
Completeness [%]	98.7	93.1	100
Redundancy	5.6	5.2	5.6
CC(1/2)		0.993	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	100 mM Na cacodylate pH 6.5, 10% PEG 8000, 200 mM Mg(CH3COO) in the presence of DOPC liposomes