1ZWP

The atomic resolution Crystal structure of the Phospholipase A2 (PLA2) complex with Nimesulide reveals its weaker binding to PLA2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	203
Detector technology	CCD
Collection date	2005-03-24
Detector	MARRESEARCH
Wavelength(s)	0.803
Spacegroup name	P 43
Unit cell lengths	52.273, 52.273, 47.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.200 - 1.100
R-factor	0.13136
Rwork	0.130
R-free	0.14690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fb2
RMSD bond length	0.016
RMSD bond angle	1.668
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.200	1.120
High resolution limit [Å]	1.100	1.100
Number of reflections	51691
<I/σ(I)>	18.2	2.3
Completeness [%]	99.8	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2M Ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K