2OTF

Crystal structure of the complex formed between phospholipase A2 and atenolol at 1.95 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	292
Detector technology	IMAGE PLATE
Collection date	2007-01-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54132
Spacegroup name	P 43
Unit cell lengths	53.280, 53.280, 48.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.840 - 1.950
R-factor	0.188
Rwork	0.188
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2arm
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.840	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	9526
Completeness [%]	95.5	92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	Ammonium Sulphate, PEG 4000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K