4AFT
Aplysia californica AChBP in complex with Varenicline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-09-12 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 207.299, 207.299, 207.299 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 146.580 - 3.200 |
| R-factor | 0.19766 |
| Rwork | 0.197 |
| R-free | 0.21294 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2br7 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.136 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.860 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.100 | 0.900 |
| Number of reflections | 24519 | |
| <I/σ(I)> | 7.8 | 2.4 |
| Completeness [%] | 94.3 | 97.3 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.6-1.2 M AMMONIUM SULPHATE, 0.1 M MMT PH 6.5-8.5 |
