2B96

Third Calcium ion found in an inhibitor bound phospholipase A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	293
Detector technology	IMAGE PLATE
Spacegroup name	P 31 2 1
Unit cell lengths	46.190, 46.190, 102.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
Rwork	0.202
R-free	0.22100
Structure solution method	Molecular Placement
Starting model (for MR)	1mkt
RMSD bond length	0.006
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.132	0.132
Number of reflections	14435
Completeness [%]	98.9	94.7
Redundancy		5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	50 mM Tris Buffer, 70% MPD reservoir, 15-20 mg/ml protein, 5mM CaCl2, 1microlitre anisic acid, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K