6BKK
Influenza A M2 transmembrane domain bound to amantadine
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 | CCD |
Collection date | 2016-03-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1158 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.220, 52.050, 48.720 |
Unit cell angles | 90.00, 108.17, 90.00 |
Refinement procedure
Resolution | 46.291 - 1.995 |
R-factor | 0.2314 |
Rwork | 0.227 |
R-free | 0.27030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lbw |
RMSD bond length | 0.001 |
RMSD bond angle | 0.324 |
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] | 52.050 | 2.050 |
High resolution limit [Å] | 1.995 | 1.995 |
Rmerge | 0.199 | 0.779 |
Number of reflections | 13454 | 942 |
<I/σ(I)> | 4.6 | 2.2 |
Completeness [%] | 93.5 | 88.8 |
Redundancy | 2.2 | 2.1 |
CC(1/2) | 0.974 | 0.508 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 0.1 M NaCl, 0.02 M sodium citrate pH 5.6, 11% w/v PEG 3350, monoolein, amantadine |