5WZO

Crystal structure of human secreted phospholipase A2 group IIE, crystallized with calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-14
Detector	OXFORD RUBY CCD
Wavelength(s)	1.5406
Spacegroup name	P 21 2 2
Unit cell lengths	49.060, 60.908, 63.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.760 - 1.900
R-factor	0.21
Rwork	0.208
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.771
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.760	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.117	0.778
Rmeas	0.125	0.883
Rpim	0.042	0.402
Number of reflections	15248
<I/σ(I)>	16.6
Completeness [%]	98.5	85.3
Redundancy	8.8	4.5
CC(1/2)	0.994	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	2.2M Sodium chloride, 0.1M BIS-TRIS propane pH 7.0