5TTC
XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2016-07-12 |
| Detector | MPCCD |
| Wavelength(s) | 1.1587 |
| Spacegroup name | I 4 |
| Unit cell lengths | 29.826, 29.826, 68.011 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.090 - 1.400 |
| R-factor | 0.2014 |
| Rwork | 0.198 |
| R-free | 0.22890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qkm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.622 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.prime |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.320 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.638 | 0.706 |
| Number of reflections | 6304 | |
| <I/σ(I)> | 5.14 | 1.25 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 1356 | 73 |
| CC(1/2) | 1.000 | 0.307 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8 | 298 | 0.2 M CaCl2, 0.1 M Tris pH 8.0, 44% PEG 400, monoolein, octyl glucoside |
