6BOC
Influenza A M2 transmembrane domain bound to rimantadine in the Inward(open) conformation
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 | 2016-12-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 34.050, 34.020, 72.090 |
| Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
| Resolution | 34.050 - 2.250 |
| R-factor | 0.2625 |
| Rwork | 0.260 |
| R-free | 0.28160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qkm |
| RMSD bond length | 0.028 |
| RMSD bond angle | 1.295 |
| 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] | 36.040 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.203 | 0.463 |
| Rpim | 0.144 | 0.344 |
| Number of reflections | 7894 | 695 |
| <I/σ(I)> | 4.2 | 2.1 |
| Completeness [%] | 98.3 | 96.3 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.957 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 3.5 | 293 | 0.18 M LiSO4, 4% v/v 1,3-Butanediol, 0.09 M sodium citrate pH 3.5, 25.2% v/v PEG 400, rimantadine, monoolein |
