6OUG
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
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 | 2017-05-06 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.1158 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 49.420, 49.380, 122.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 122.380 - 3.010 |
R-factor | 0.2846 |
Rwork | 0.273 |
R-free | 0.30060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bmz |
RMSD bond length | 0.006 |
RMSD bond angle | 0.831 |
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] | 122.400 | 3.118 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 6417 | 992 |
<I/σ(I)> | 5.79 | 1.24 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 12.5 | |
CC(1/2) | 0.997 | 0.465 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 8 | 293 | 0.04M Sodium chloride, 0.04M Tris pH 8.0, 27% v/v PEG 350 MME, spiroadamantyl amine inhibitor |