5WZM

Crystal structure of human secreted phospholipase A2 group IIE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 2 2
Unit cell lengths	48.510, 60.460, 63.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.820 - 2.000
R-factor	0.1867
Rwork	0.185
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.749
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.820	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.111	0.601
Rmeas	0.120	0.648
Rpim	0.045	0.239
Number of reflections	13175
<I/σ(I)>	11.7
Completeness [%]	100.0	100
Redundancy	7.1	7.3
CC(1/2)	0.996	0.836

Crystallization Conditions

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