7PX2

Conotoxin Mu8.1 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	2019-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.7712
Spacegroup name	P 1 21 1
Unit cell lengths	68.840, 88.450, 69.310
Unit cell angles	90.00, 116.71, 90.00

Refinement procedure

Resolution	48.970 - 2.120
R-factor	0.2181
Rwork	0.217
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7px1
RMSD bond length	0.003
RMSD bond angle	0.780
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.970	2.196
High resolution limit [Å]	2.120	2.120
Rmerge	0.091	0.812
Rmeas	0.099	0.929
Rpim	0.038	0.441
Number of reflections	41056	3498
<I/σ(I)>	9.75	1.21
Completeness [%]	97.3	83.17
Redundancy	6.3	4.1
CC(1/2)	0.998	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	0.02 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 22% w/v Polyacrylic acid sodium salt 5,100)