3PEO
Crystal structure of acetylcholine binding protein complexed with metocurine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 124.699, 147.574, 148.857 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 104.828 - 2.100 |
| R-factor | 0.20825 |
| Rwork | 0.208 |
| R-free | 0.25496 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byn |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.052 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 104.828 | 104.828 | 2.260 |
| High resolution limit [Å] | 2.100 | 3.590 | 2.100 |
| Rmerge | 0.119 | ||
| Number of reflections | 158959 | ||
| <I/σ(I)> | 15.4 | ||
| Completeness [%] | 90.0 | 99.4 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 10% PEG 4000, 0.25M magnesium chloride, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
