1TH6

Crystal structure of phospholipase A2 in complex with atropine at 1.23A 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	2004-04-19
Detector	MARRESEARCH
Wavelength(s)	0.803
Spacegroup name	P 43
Unit cell lengths	52.331, 52.331, 48.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.990 - 1.230
R-factor	0.18909
Rwork	0.189
R-free	0.20444
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1skg
RMSD bond length	0.008
RMSD bond angle	1.946
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.990	1.250
High resolution limit [Å]	1.230	1.230
Number of reflections	37504
<I/σ(I)>	33.2	3.7
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M ammonium sulphate, 30% PEG 4000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K