5UM1
XFEL structure of influenza A M2 wild type TM domain at intermediate 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 | 2015-11-27 |
| Detector | MPCCD |
| Wavelength(s) | 1.1587 |
| Spacegroup name | I 4 |
| Unit cell lengths | 29.884, 29.884, 67.795 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.131 - 1.451 |
| R-factor | 0.2144 |
| Rwork | 0.213 |
| R-free | 0.22960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qkm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.572 |
| 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] | 27.350 | 1.480 |
| High resolution limit [Å] | 1.437 | 1.450 |
| Rmerge | 0.720 | 1.026 |
| Number of reflections | 5297 | 299 |
| <I/σ(I)> | 4.62 | 0.19 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 624 | 92.86 |
| CC(1/2) | 0.973 | 0.502 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.5 | 298 | 0.2 M CaCl2, 0.1 M Tris pH 6.5, 44% PEG 400, monoolein, octyl glucoside |
