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 |