8AMY

High-resolution crystal structure of the Mu8.1 conotoxin from Conus Mucronatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976254
Spacegroup name	I 41 2 2
Unit cell lengths	52.860, 52.860, 137.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.620 - 1.670
R-factor	0.1703
Rwork	0.169
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7px2
RMSD bond length	0.015
RMSD bond angle	1.667
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.620	1.730
High resolution limit [Å]	1.670	1.670
Rmerge	0.067	1.000
Rmeas	0.071	1.000
Rpim	0.023	0.621
Number of reflections	21222	1401
<I/σ(I)>	16.59	1.03
Completeness [%]	98.9	91.62
Redundancy	8.2	3.4
CC(1/2)	0.999	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	18% PEG 5000 MME. 0.2 M Ammonium sulfate, 0.1 M MES.