1A3F

PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1995-06
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	67.220, 73.480, 87.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.650
R-factor	0.21
Rwork	0.210
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1psh
RMSD bond length	0.014
RMSD bond angle	24.200 *
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]	72.500	2.690
High resolution limit [Å]	2.500	2.500
Rmerge	0.064 *
Total number of observations	27711 *
Number of reflections	9506 *
<I/σ(I)>	8.7	2
Completeness [%]	72.4 *	73
Redundancy	2.5	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		22.5 *	UNBUFFERED 32.5% MONOMETHYL PEG 5K AND 0.17M SODIUM CITRATE AT 22.5 DEGREES C., temperature 295.5K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	mPEG5000	32.5 (%)
2	1	reservoir	sodium citrate	0.17 (M)