5KE4
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 6 nicotinic acetylcholine receptor in complex with 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)- N,N-dimethylethanamine (BPC)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 88 |
Detector technology | CCD |
Collection date | 2012-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.999, 118.782, 129.178 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.299 - 2.554 |
R-factor | 0.1893 |
Rwork | 0.187 |
R-free | 0.23470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.965 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.299 | 50.000 | 2.600 |
High resolution limit [Å] | 2.554 | 6.940 | 2.560 |
Rmerge | 0.094 | 0.061 | 0.236 |
Number of reflections | 41823 | ||
<I/σ(I)> | 18.5 | ||
Completeness [%] | 99.4 | 99.9 | 98.6 |
Redundancy | 14 | 13.5 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 30% PEG 400, 0.1 M HEPES - Na pH 7.5, 0.2 M Magnesium Chloride |