8BXW
Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Carvacrol
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-08 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.91587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.361, 36.710, 54.658 |
Unit cell angles | 90.00, 101.77, 90.00 |
Refinement procedure
Resolution | 26.769 - 1.300 |
Rwork | 0.172 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.830 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.510 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 32113 | 4584 |
<I/σ(I)> | 23.5 | 7.5 |
Completeness [%] | 97.5 | 96.3 |
Redundancy | 6.4 | 5.7 |
CC(1/2) | 0.999 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.12M alcohols (0.02 M each of 1,6-Hexanediol, 1-Butanol, 1,2-Propanediol (racemic), 2-Propanol, 1,4- Butanediol and 1,3-Propanediol), 0.1 M MOPS/HEPES-Na pH 7.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) MPD |