2QVD

Identification of a potent anti-inflammatory agent from the natural extract of plant Cardiospermun helicacabum: Crystal structure of the complex of phospholipase A2 with Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy at 1.93 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	2007-08-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54132
Spacegroup name	P 43
Unit cell lengths	53.311, 53.311, 48.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.450 - 1.930
R-factor	0.17765
Rwork	0.175
R-free	0.22435
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pyc
RMSD bond length	0.017
RMSD bond angle	1.802
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	2.000
High resolution limit [Å]	1.930	1.930
Number of reflections	9715
Completeness [%]	99.2	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	50mm Ammonium acetate, 0.2M ammonium sulphate, 30%PEG 4000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K