1A3D

PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	22
Detector technology	AREA DETECTOR
Collection date	1993-01
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 3
Unit cell lengths	69.240, 69.240, 69.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.800
R-factor	0.175
Rwork	0.175
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1psh
RMSD bond length	0.017
RMSD bond angle	23.200 *
Data reduction software	UCSD (SOFTWARE)
Data scaling software	UCSD
Phasing software	X-PLOR (3.0)
Refinement software	X-PLOR (3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.060	1.880
High resolution limit [Å]	1.800 *	1.800
Rmerge	0.060 *
Total number of observations	97743 *
Number of reflections	10508
<I/σ(I)>	12.6	2
Completeness [%]	95.2 *	90.1
Redundancy	9.7	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	22.5 *	1.4M (NH4)2SO4, 1% PEG 400, AND 0.1M TRIS PH 7.5 AT 22.5 DEGREES C., temperature 295.5K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.4 (M)
2	1	reservoir	PEG400	1 (%)
3	1	reservoir	Tris-HCl	0.1 (M)