2ZBH

Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2007-08-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	52.926, 52.926, 48.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.870 - 2.600
R-factor	0.197
Rwork	0.197
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qvd
RMSD bond length	0.015
RMSD bond angle	2.500
Data reduction software	AUTOMAR
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.870	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	4094
<I/σ(I)>	5.4	1.4
Redundancy	4.6	4.6

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