6ZOI

A lid blocking mechanism of a cone snail toxin revealed at the atomic level

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-07-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5417
Spacegroup name	P 1 21 1
Unit cell lengths	43.855, 90.327, 44.645
Unit cell angles	90.00, 105.28, 90.00

Refinement procedure

Resolution	42.306 - 1.798
R-factor	0.184
Rwork	0.182
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yht
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.310	1.863
High resolution limit [Å]	1.798	1.798
Rpim	0.050	0.231
Number of reflections	30334	2916
<I/σ(I)>	10.01
Completeness [%]	97.2
Redundancy	7.6
CC(1/2)	0.996	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	0.1M Sodium Chloride 9.1M Sodium Formate 0.1M Bis-Tris propane 25% PEG Smear Medium