2XNV
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 | P 41 21 2 |
| Unit cell lengths | 145.140, 145.140, 269.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.620 - 2.440 |
| R-factor | 0.1806 |
| Rwork | 0.179 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2br7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| 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] | 46.770 | 2.530 |
| High resolution limit [Å] | 2.440 | 2.400 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 107280 | |
| <I/σ(I)> | 17 | 2.2 |
| Completeness [%] | 95.0 | 98.6 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 2M SODIUM FORMATE, pH 7 |
