3S0D
Apis mellifera OBP 14 in complex with the citrus odorant citralva (3,7-dimethylocta-2,6-dienenitrile)
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 | CCD |
Collection date | 2011-02-08 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.400, 37.860, 86.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.080 - 1.240 |
R-factor | 0.15942 |
Rwork | 0.159 |
R-free | 0.18346 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s0a |
RMSD bond length | 0.012 |
RMSD bond angle | 1.527 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.100 | 1.270 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmerge | 0.082 | 0.600 |
Number of reflections | 30933 | |
<I/σ(I)> | 12.7 | 2.3 |
Completeness [%] | 98.4 | 99.6 |
Redundancy | 5.3 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.8 | 293 | 1.8-1.9 M tri-sodium citrate, 25 mM CHES, pH 9.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |