3N7H
Crystal structure of Odorant Binding Protein 1 from Anopheles gambiae (AgamOBP1) with DEET (N,N-Diethyl-meta-toluamide) and PEG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.81 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 55.930, 63.540, 68.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.540 - 1.600 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2erb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.278 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.540 | 1.680 |
| High resolution limit [Å] | 1.598 | 1.600 |
| Number of reflections | 32525 | |
| <I/σ(I)> | 12.6 | 3.5 |
| Completeness [%] | 99.3 | 98.2 |
| Redundancy | 5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 32% PEG 8000, 250 mM MgCl2, 50 mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
