2GNS

Design of specific peptide inhibitors of phospholipase A2: Crystal structure of the complex formed between a group II phospholipase A2 and a designed pentapeptide Ala- Leu- Val- Tyr- Lys at 2.3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	2006-03-22
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	53.140, 53.140, 48.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.790 - 2.300
R-factor	0.21
Rwork	0.197
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1FB2.pdb
RMSD bond length	0.009
RMSD bond angle	2.200
Data reduction software	AUTOMAR
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	5989
Completeness [%]	97.7	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.2	298	0.2M ammonium sulphate, 30% PEG 4000, pH 7.2, VAPOR DIFFUSION, temperature 298K