6OPB
Structure of Aedes aegypti OBP22 in the complex with arachidic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-02 |
| Detector | DECTRIS PILATUS3 X 200K-A |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 31 |
| Unit cell lengths | 154.259, 154.259, 58.043 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.560 - 2.000 |
| R-factor | 0.17847 |
| Rwork | 0.176 |
| R-free | 0.21780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | OBP22 structure slved by tantalum SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.995 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.560 | 2.072 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.043 | 0.158 |
| Rmeas | 0.048 | 0.209 |
| Rpim | 0.022 | 0.136 |
| Number of reflections | 102184 | 10406 |
| <I/σ(I)> | 30.17 | 6.42 |
| Completeness [%] | 99.9 | 99.62 |
| Redundancy | 3.2 | 1.9 |
| CC(1/2) | 0.999 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 291 | 1.55M ammonium sulfate, 0.1M citric acid, 0.5M sodium chloride |
