2I0U

Crystal structures of phospholipases A2 from Vipera nikolskii venom revealing Triton X-100 bound in hydrophobic channel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	298
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	76.284, 76.284, 304.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.000 - 2.200
R-factor	0.209
Rwork	0.209
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.670
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	17760
Completeness [%]	90.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	15% PEG 4K, 0.2M lithium sulphate, 0.1M sodium cacodylate pH 6.5, 0.1% sodium azide, VAPOR DIFFUSION, HANGING DROP, temperature 291K