1OYF

Crystal Structure of Russelles viper (Daboia russellii pulchella) phospholipase A2 in a complex with venom 6-methyl heptanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2002-09-04
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.866, 69.071, 75.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 2.450
R-factor	0.192
Rwork	0.192
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fvo
RMSD bond length	0.010
RMSD bond angle	2.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.500
High resolution limit [Å]	2.400	2.400
Number of reflections	7984
<I/σ(I)>	25.2	3.2
Completeness [%]	98.1	95.3
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M Cacodylate buffer, 0.2M Ammonoum Sulphate, 15% PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K