1GH4

Structure of the triple mutant (K56M, K120M, K121M) of phospholipase A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2000-08-20
Detector	MARRESEARCH
Spacegroup name	P 1 2 1
Unit cell lengths	39.100, 24.350, 67.110
Unit cell angles	90.00, 102.15, 90.00

Refinement procedure

Resolution	14.200 - 1.900
R-factor	0.196 *
Rwork	0.196
R-free	0.25900
RMSD bond length	0.011 *
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.200	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.075	0.293
Total number of observations	40817 *
Number of reflections	8880
Completeness [%]	88.3 *	72
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2	293	Tris Buffer, MPD, 70% MPD reservoir, 17-20Mg/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	12-14 (mg/ml)
2	1	drop	Tris	36 (mM)
3	1	drop	MPD	17 (%)
4	1	reservoir	MPD	70 (%)