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 |