3FO7

Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site

Replaces:  2DV8Replaces:  1TI0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2006-10-10
Detector	MARRESEARCH
Wavelength(s)	1.5414
Spacegroup name	P 43
Unit cell lengths	51.660, 51.660, 48.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.990 - 1.400
R-factor	0.188
Rwork	0.188
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1skg
RMSD bond length	0.007
RMSD bond angle	1.675
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.990	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	24939
<I/σ(I)>	19.5	2.9
Completeness [%]	99.2	100
Redundancy	19.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.3M AMMONIUM SULPHATE, 30% PEG 4000, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K