6HY7

Crystal structure of alpha9 nAChR extracellular domain in complex with alpha-conotoxin RgIA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	63.646, 82.530, 49.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.434 - 2.260
R-factor	0.1962
Rwork	0.193
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uxu
RMSD bond length	0.009
RMSD bond angle	1.053
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.434	2.360
High resolution limit [Å]	2.260	2.260
Number of reflections	12622
<I/σ(I)>	1.19
Completeness [%]	98.9
Redundancy	5.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	30% PEG 10000, 100mM Hepes