6OII
Structure of Aedes aegypti OBP22 in the complex with arachidonic 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 | 2018-11-07 |
| Detector | DECTRIS PILATUS3 X 200K-A |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.210, 40.844, 56.278 |
| Unit cell angles | 90.00, 117.24, 90.00 |
Refinement procedure
| Resolution | 27.900 - 1.850 |
| R-factor | 0.19283 |
| Rwork | 0.189 |
| R-free | 0.22579 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.263 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.900 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.110 | 0.762 |
| Rmeas | 0.114 | 0.792 |
| Rpim | 0.030 | 0.213 |
| Number of reflections | 19395 | 1900 |
| <I/σ(I)> | 17.88 | 4.15 |
| Completeness [%] | 99.4 | 99.01 |
| Redundancy | 14.6 | 13.3 |
| CC(1/2) | 0.998 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 3350 12 w/v, 0.1M sodium HEPES, 10mM cadmium chloride, 6mM cobalt chloride, 6mM magnesium chloride |
