2PWS

Crystal structure of the complex formed between phospholipase A2 and 2-(4-isobutyl-phenyl)-propionic acid at 2.2 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2007-04-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54132
Spacegroup name	P 43
Unit cell lengths	53.169, 53.169, 48.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.450 - 2.210
R-factor	0.18249
Rwork	0.180
R-free	0.21539
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sv3
RMSD bond length	0.014
RMSD bond angle	1.905
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.450	2.290
High resolution limit [Å]	2.210	2.210
Number of reflections	6488
Completeness [%]	99.2	93.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	298	Ammonium Sulphate, PEG 4000, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K