2YME
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with granisetron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.090, 138.900, 119.890 |
| Unit cell angles | 90.00, 91.07, 90.00 |
Refinement procedure
| Resolution | 48.908 - 2.400 |
| R-factor | 0.1724 |
| Rwork | 0.170 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xys |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.805 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.350 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.120 | 0.800 |
| Number of reflections | 105875 | |
| <I/σ(I)> | 10.6 | 1.5 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200 MM NA2SO4, BISTRISPROPANE PH 8.5, 18% PEG3350. |
