2OSH

crystal structure of Natratoxin, a snake sPLA2 that blocks A-type K+ channel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-06-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	42.078, 42.078, 64.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.192
Rwork	0.190
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mf4
RMSD bond length	0.012
RMSD bond angle	1.244
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	25.510	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.052	0.025	0.127
Total number of observations		348	1580
Number of reflections	5557
<I/σ(I)>	2.8	24	3.5
Completeness [%]	97.4	85	98.7
Redundancy	2	2.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	281	2.0M Ammonium Sulfate, 5% v/v iso-Propano, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K