4X93

Crystal structure of Lysosomal Phospholipase A2 crystallized in the presence of methyl arachidonyl fluorophosphonate (tetragonal form)

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)	0.97933
Spacegroup name	P 43 21 2
Unit cell lengths	86.820, 86.820, 365.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.1995
Rwork	0.199
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x90
RMSD bond length	0.008
RMSD bond angle	1.240
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	2.640
High resolution limit [Å]	2.600	7.030	2.600
Rmerge	0.159	0.073
Rmeas	0.165	0.076
Rpim	0.049	0.020	0.428
Total number of observations	654390
Number of reflections	44707
<I/σ(I)>	4.4
Completeness [%]	100.0	99.6	100
Redundancy	14.6	14.4	14.7
CC(1/2)		0.997	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	100 mM HEPES pH 7.5, 30% PEG MME 550, 50 mM MgCl2