2WNC
Crystal structure of Aplysia ACHBP in complex with tropisetron
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 | 2006-11-08 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 212.584, 212.584, 212.584 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.160 - 2.200 |
| R-factor | 0.17837 |
| Rwork | 0.177 |
| R-free | 0.21171 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.464 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.500 |
| Number of reflections | 80567 | |
| <I/σ(I)> | 13.9 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 22% PEG4000, 0.1 M TRIS-HCL PH 7.5, 0.2 M LI2SO4 |
