2Q1P

Crystal Structure of Phospholipase A2 complex with propanol at 1.5 A 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]	300
Detector technology	CCD
Collection date	2007-03-21
Detector	MAR CCD 165 mm
Wavelength(s)	0.9012
Spacegroup name	P 43
Unit cell lengths	52.150, 52.150, 47.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.500
R-factor	0.19199
Rwork	0.191
R-free	0.20533
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oyf
RMSD bond length	0.011
RMSD bond angle	1.385
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]	25.000	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	20479
<I/σ(I)>	60.2	6.1
Completeness [%]	100.0	99.8
Redundancy	41.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	300	0.2M ammonium sulphate, 30% PEG 4000, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 300K