1S8I

Crystal structure of Lys49-Phospholipase A2 from Agkistrodon contortrix laticinctus, second fatty acid free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-10-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	70.570, 70.570, 57.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.500 * - 1.610 *
R-factor	0.1867
Rwork	0.186
R-free	0.20500 *
Structure solution method	Sulfur-SAD at CuKa wavelength
RMSD bond length	0.009
RMSD bond angle	1.295
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.500 *	1.650
High resolution limit [Å]	1.610 *	1.610 *
Rmerge	0.061	0.314
Total number of observations	526515 *
Number of reflections	35959 *
<I/σ(I)>	49.5	8.1
Completeness [%]	99.8	99.8
Redundancy	14.6	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	TRIS-HCl, ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.0 (M)
2	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
3	1	drop	protein	10 (mg/ml)