1S6B

X-ray Crystal Structure of a Complex Formed Between Two Homologous Isoforms of Phospholipase A2 from Naja naja sagittifera: Principle of Molecular Association and Inactivation

Replaces:  1LFJ

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	2001-09-11
Detector	MARRESEARCH
Wavelength(s)	0.91
Spacegroup name	P 41
Unit cell lengths	64.537, 64.537, 57.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.212
Rwork	0.206
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1psh
RMSD bond length	0.011 *
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.680
High resolution limit [Å]	1.600	1.600
Rmerge	0.043 *	0.329 *
Total number of observations	500751 *
Number of reflections	27946
<I/σ(I)>	26	3.02
Completeness [%]	98.6	97.3
Redundancy	17.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	calcium chloride, tris, pH 6.00, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium phosphate	10 (mM)
2	1	drop	calcium acetate	20 (mM)
3	1	drop	protein	15 (mg/ml)
4	1	reservoir	ethanol	25 (%)