1TDV

Non-specific binding to phospholipase A2:Crystal structure of the complex of PLA2 with a designed peptide Tyr-Trp-Ala-Ala-Ala-Ala at 1.7A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	200
Detector technology	CCD
Collection date	2004-05-01
Detector	MARRESEARCH
Wavelength(s)	0.806
Spacegroup name	P 43
Unit cell lengths	52.290, 52.290, 47.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.990 - 1.700
R-factor	0.18028
Rwork	0.179
R-free	0.20615
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1skg
RMSD bond length	0.014
RMSD bond angle	1.807
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]	51.990	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	14306
<I/σ(I)>	27.8	6.7
Completeness [%]	100.0	100
Redundancy	24.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2M AMMONIUM SULPHATE, 30% PEG, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K