6OTL
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2013-09-13 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.254 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.760, 87.760, 59.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.590 |
R-factor | 0.19512 |
Rwork | 0.194 |
R-free | 0.20913 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.385 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.684 |
High resolution limit [Å] | 2.590 | 2.591 |
Rmerge | 0.067 | 0.288 |
Rmeas | 0.095 | 0.408 |
Rpim | 0.067 | 0.288 |
Number of reflections | 8456 | 798 |
<I/σ(I)> | 27.32 | 3.23 |
Completeness [%] | 99.4 | 96.85 |
Redundancy | 2 | 2 |
CC(1/2) | 0.983 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 2M Ammonium sulfate, 0.1 M sodium citrate, 0.2M sodium potassium tartrate |