1SV3

Structure of the complex formed between Phospholipase A2 and 4-methoxybenzoic acid at 1.3A resolution.

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	2003-09-29
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	52.570, 52.570, 47.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.350
R-factor	0.20986
Rwork	0.208
R-free	0.24267
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fb2
RMSD bond length	0.016
RMSD bond angle	1.781
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]	20.000	1.360
High resolution limit [Å]	1.300	1.300
Number of reflections	28771
<I/σ(I)>	8.8	2.1
Completeness [%]	94.1	99.4
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	297	0.2M Ammonium sulphate, 50% PEG, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 297K