6X9H

Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	91.786, 116.149, 227.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.840 - 3.010
R-factor	0.2259
Rwork	0.224
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s3w
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.845	3.100
High resolution limit [Å]	3.000	3.000
Rmerge		0.783
Rmeas	0.169
Number of reflections	48207	4122
<I/σ(I)>	11.1	1.708
Completeness [%]	97.8	85
Redundancy	5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	286	100 mM MgCl2, 100 mM HEPES, pH 7.5, 28-30% PEG 400