6BMZ
Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor
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 | 2016-04-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1158 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.620, 72.590, 99.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.591 - 2.634 |
R-factor | 0.2307 |
Rwork | 0.226 |
R-free | 0.27670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lbw |
RMSD bond length | 0.002 |
RMSD bond angle | 0.437 |
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] | 72.590 | 2.760 |
High resolution limit [Å] | 2.630 | 2.630 |
Rmerge | 0.164 | 0.654 |
Number of reflections | 11007 | 1442 |
<I/σ(I)> | 8.7 | 3 |
Completeness [%] | 99.3 | 98.9 |
Redundancy | 7 | 6.9 |
CC(1/2) | 0.997 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7 | 293 | 0.1 M HEPES pH 7, 30% v/v PEG 400, monoolein, spiroadamantane amine |