1C74

Structure of the double mutant (K53,56M) of phospholipase A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1999-08-15
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	46.410, 46.410, 102.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.900
Rwork	0.189
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mkt
RMSD bond length	0.011
RMSD bond angle	1.561 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.092	0.333
Total number of observations	42068 *
Number of reflections	9733
Completeness [%]	89.0	71
Redundancy	4.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2	293	Tris Buffer, MPD, 50% MPD reservoir, 15Mg/ml protein, 5 mM CaCl2, 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	15 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	MPD	60 (%)
4	1	reservoir	MPD	50 (%)