4ZJS
Crystal structure of a chimeric acetylcholine binding protein from Aplysia Californica (Ac-AChBP) containing the main immunogenic region (MIR) from the human alpha 1 subunit of the muscle nicotinic acetylcholine receptor in complex with anatoxin-A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 88 |
| Detector technology | CCD |
| Collection date | 2009-08-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | .999 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 207.604, 207.604, 207.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.930 - 2.230 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byn 2pgz 2byp 2bys 2byr 3c84 and a homology model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.270 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.191 | 0.952 |
| Number of reflections | 72156 | |
| <I/σ(I)> | 5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 37.9 | 17.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 17. 25.5% PEG 4000, 0.085 M Tris HCl pH 8.5, 0.17 M Lithium Sulfate, 15% Glycerol |
