1UW6
X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 233.000, 267.422, 73.139 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.200 |
| R-factor | 0.22386 |
| Rwork | 0.222 |
| R-free | 0.26500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i9b |
| RMSD bond length | 0.015 * |
| RMSD bond angle | 1.460 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.094 | 0.589 |
| Number of reflections | 236373 | |
| <I/σ(I)> | 9 | 1.7 |
| Completeness [%] | 86.0 | 38 |
| Redundancy | 8.0 * | 1.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | TRIS PH 8.0, AMMONIUM SULFATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 0.1 (M) | pH8.0 |
| 2 | 1 | drop | Nicotine | 0.8 (mM) | |
| 3 | 1 | drop | AChBP | 10 (mg/ml) | |
| 4 | 1 | reservoir | ammonium sulfate | 2.1 (M) | |
| 5 | 1 | reservoir | PEG200 | 1 (%) | |
| 6 | 1 | reservoir | Tris | 0.1 (M) | pH8.0 |
