6US8
Influenza A M2 proton channel wild type TM domain bound to S-rimantadine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-31 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.1159 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.390, 76.090, 98.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.250 - 1.700 |
R-factor | 0.1903 |
Rwork | 0.189 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bkl |
RMSD bond length | 0.070 |
RMSD bond angle | 2.717 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.250 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.089 | 0.882 |
Rpim | 0.036 | 0.349 |
Number of reflections | 37869 | 1950 |
<I/σ(I)> | 11.3 | 2.1 |
Completeness [%] | 91.5 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7.5 | 293 | monoolein, 0.05 M HEPES pH 7.5, 22% w/vPEG 4000, 50 mM MNG-3-C8, S-rimantadine |