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 |