4ZJT
X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in complex with 2-Thiophenylmethylene Anabaseine (2TAB)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 88 |
| Detector technology | CCD |
| Collection date | 2011-12-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.842, 127.603, 122.469 |
| Unit cell angles | 90.00, 110.45, 90.00 |
Refinement procedure
| Resolution | 49.985 - 1.850 |
| R-factor | 0.1891 |
| Rwork | 0.189 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1YI5 1uv6 1uw6 1ux2 2zju 2zjv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.332 |
| 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 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.077 | 0.035 |
| Number of reflections | 248133 | |
| <I/σ(I)> | 23.8 | 1.237 |
| Completeness [%] | 96.0 | 68.5 |
| Redundancy | 7.1 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.26 M ammonium phosphate, 35% glycerol |
