4X90

Crystal structure of Lysosomal Phospholipase A2

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	P 1
Unit cell lengths	62.806, 91.151, 100.266
Unit cell angles	78.13, 88.46, 88.50

Refinement procedure

Resolution	30.000 - 1.840
R-factor	0.155
Rwork	0.154
R-free	0.17330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.441
Data reduction software	HKL-2000
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	1.860
High resolution limit [Å]	1.830	4.960	1.830
Rmerge	0.095	0.058	0.631
Total number of observations	726111
Number of reflections	183439
<I/σ(I)>	6.7
Completeness [%]	97.8	99.5	96.4
Redundancy	4	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	100 mM HEPES pH 7.5, 3.5% PEG 8000, 28% MPD, 300 mM (NH4)2HPO4