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 |