1O3W

Structure of the inhibitor free triple mutant (K53,56,120M) of phospholipase A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2000-11-20
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	46.760, 46.760, 102.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.900 - 1.850
Rwork	0.193
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	22.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.060 *	0.389
Total number of observations	76651 *
Number of reflections	11084 *
Completeness [%]	95.0	98.3
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2	293	50 mM Tris Buffer, 70% MPD reservoir,17-20Mg/ml prot,5 mM CaCl2 and 60% MPD in the droplet, pH 7.2, vapor diffusion method, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17-20 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.2
3	1	drop		5 (mM)
4	1	drop	MPD	60 (%(v/v))
5	1	reservoir	MPD	70 (%)