6P2E
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) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 86.934, 86.934, 58.515 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.000 - 1.900 |
R-factor | 0.18464 |
Rwork | 0.183 |
R-free | 0.20013 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | OBP22 structure solved by tantalum SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.132 |
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] | 35.000 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.016 | 0.249 |
Rmeas | 0.022 | 0.353 |
Rpim | 0.016 | 0.249 |
Number of reflections | 40781 | 2001 |
<I/σ(I)> | 25.63 | 3.16 |
Completeness [%] | 99.7 | 99.85 |
Redundancy | 2 | 2 |
CC(1/2) | 1.000 | 0.889 |
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 |