8AEI
X-ray structure of Canis familiaris Odorant Binding Protein 2 bound to citronellal
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 | 2020-12-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978566 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.562, 48.685, 67.102 |
| Unit cell angles | 90.00, 105.20, 90.00 |
Refinement procedure
| Resolution | 38.910 - 1.740 |
| R-factor | 0.1918 |
| Rwork | 0.190 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l4r |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.807 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.690 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.052 | 0.376 |
| Rmeas | 0.056 | 0.407 |
| Rpim | 0.021 | 0.153 |
| Number of reflections | 32275 | 1535 |
| <I/σ(I)> | 19 | |
| Completeness [%] | 97.0 | 85 |
| Redundancy | 6.9 | 6.6 |
| CC(1/2) | 0.999 | 0.949 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 35% PEG 4000, 0.2 M MgCl2 in 0.1 M pH 8.0 Tris buffer |
