2XNU
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-09-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 135.741, 177.015, 129.581 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.090 - 2.550 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.22980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2br7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.100 | 2.690 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.310 |
| Number of reflections | 49629 | |
| <I/σ(I)> | 6.9 | 3.6 |
| Completeness [%] | 93.0 | 91.3 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M SODIUM BROMIDE, 0.1M BIS-TRIS PROPANE PH 7.5, 20% PEG3350 |
