5AIN
Varenicline Interactions at the 5HT3 Receptor Ligand Binding Site are Revealed by 5HTBP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-01 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 72.794, 72.794, 479.221 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.293 - 2.300 |
| R-factor | 0.1655 |
| Rwork | 0.162 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2br7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.082 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.990 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.630 |
| Number of reflections | 58174 | |
| <I/σ(I)> | 11.9 | 2.2 |
| Completeness [%] | 98.5 | 99.4 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
