7ULG

recombinant alpha cobra toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000070
Spacegroup name	P 3 2 1
Unit cell lengths	73.969, 73.969, 110.841
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.910 - 1.570
R-factor	0.1697
Rwork	0.169
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ntn 4lft 6zfm 1hc9
RMSD bond length	0.012
RMSD bond angle	1.259
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.060	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.088	0.904
Rmeas		0.945
Rpim		0.211
Number of reflections	94685	2482
<I/σ(I)>	21.8	3.8
Completeness [%]	99.9	99.79
Redundancy	21.7	19.7
CC(1/2)		0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	291.15	110 mg/ml in 200 mM NH4Ac (pH 7.0/25 DC), 1:1 with 0.1 M HEPES (pH 7.9), 30% Jeffamine M-600 (pH 7.0), 18 DC