1ZYX

Crystal structure of the complex of a group IIA phospholipase A2 with a synthetic anti-inflammatory agent licofelone at 1.9A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2005-03-21
Detector	MARRESEARCH
Wavelength(s)	1.541812
Spacegroup name	P 43
Unit cell lengths	53.440, 53.440, 48.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.970 - 1.950
R-factor	0.193
Rwork	0.193
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	DENZO
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.970	1.970
High resolution limit [Å]	1.950	1.950
Number of reflections	9639
Completeness [%]	95.6	95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Ammonium Sulphate, PEG4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K