6ZFM

Structure of alpha-Cobratoxin with a peptide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976200
Spacegroup name	P 61
Unit cell lengths	49.438, 49.438, 289.629
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.645 - 1.900
R-factor	0.2027
Rwork	0.201
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ntn
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.645	1.710
High resolution limit [Å]	1.680	1.680
Number of reflections	45445	2353
<I/σ(I)>	9.2
Completeness [%]	100.0
Redundancy	9.6
CC(1/2)	0.969	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Carboxylic acids (sodium formate / ammonium acetate / sodium citrate / sodium potassium tartrate / sodium oxamate), 0.1 M HEPES / MOPS pH7.5, 30.0 % v/v PEG 500 MME / PEG 20000