1G4I

Crystal structure of the bovine pancreatic phospholipase A2 at 0.97A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-25
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	46.532, 63.557, 37.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 0.970
R-factor	0.094
Rwork	0.094
R-free	0.11390 *
Starting model (for MR)	1une
RMSD bond length	0.021
RMSD bond angle	0.046
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	0.990
High resolution limit [Å]	0.970	0.970
Rmerge	0.064	0.172
Total number of observations	469197 *
Number of reflections	66635
<I/σ(I)>	33.4	6.89
Completeness [%]	99.8	97.4
Redundancy	7.04	3.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.6	293	MPD, calcium chloride, Tris buffer, pH 7.6, SMALL TUBES, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris	100 (mM)
2	1	1		5 (mM)
3	1	1	protein	30 (mg/ml)
4	1	2	MPD