5WZV

Crystal structure of human secreted phospholipase A2 group IIE with Me-indoxam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	110
Detector technology	CCD
Collection date	2014-09-30
Detector	OXFORD RUBY CCD
Wavelength(s)	1.5406
Spacegroup name	P 21 2 2
Unit cell lengths	49.076, 61.048, 63.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.370 - 2.200
R-factor	0.2097
Rwork	0.208
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wzm
RMSD bond length	0.012
RMSD bond angle	1.513
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.5.28)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.370	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.129	0.674
Rmeas	0.139	0.723
Rpim	0.051	0.258
Total number of observations	71369
Number of reflections	10042
<I/σ(I)>	13.9
Completeness [%]	99.2	99.9
Redundancy	7.1	7.6
CC(1/2)	0.997	0.823

Crystallization Conditions

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