4XK9
Crystal structure of A-AChBP in complex with pinnatoxin G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.07 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.844, 142.918, 142.130 |
| Unit cell angles | 90.00, 126.48, 90.00 |
Refinement procedure
| Resolution | 34.000 - 2.200 |
| R-factor | 0.1997 |
| Rwork | 0.199 |
| R-free | 0.21135 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.586 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.466 | |
| Total number of observations | 441534 | |
| Number of reflections | 149555 | |
| <I/σ(I)> | 9.8 | 2.5 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 8% (w/v) P4000, 0.1M Hepes pH 7.5, 0.2M MgCl2 |
