4U5G

Crystal structure of con-ikot-ikot toxin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.75
Spacegroup name	P 31 2 1
Unit cell lengths	56.499, 56.499, 86.782
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.833 - 2.200
R-factor	0.2037
Rwork	0.202
R-free	0.23850
RMSD bond length	0.009
RMSD bond angle	1.325
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Number of reflections	8570
<I/σ(I)>	30.8
Completeness [%]	99.8
Redundancy	35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M MES pH 6.0, 0.2 M ZnAc2, 15% ethanol, 35% glycerol