3FG5

Crystal structure determination of a ternary complex of phospholipase A2 with a pentapeptide FLSYK and Ajmaline at 2.5 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	300
Detector technology	IMAGE PLATE
Collection date	2007-11-02
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	52.949, 52.949, 48.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.188
Rwork	0.188
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zr8
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	4392
<I/σ(I)>	6.4	1.7
Completeness [%]	93.2	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	0.2M AMMONIUM SULPHATE, 0.2M AMMONIUM ACETATE, 30% PEG 4000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K