5UR9
Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 68.990, 78.110, 78.830 |
Unit cell angles | 61.66, 69.61, 78.01 |
Refinement procedure
Resolution | 40.760 - 2.198 |
R-factor | 0.198676383641 |
Rwork | 0.197 |
R-free | 0.23686 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lkp |
RMSD bond length | 0.008 |
RMSD bond angle | 0.969 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.940 | 2.320 |
High resolution limit [Å] | 2.198 | 2.198 |
Rmerge | 0.056 | 0.386 |
Number of reflections | 63855 | 8986 |
<I/σ(I)> | 11.2 | 2.3 |
Completeness [%] | 92.5 | 89 |
Redundancy | 2.6 | 2.5 |
CC(1/2) | 0.998 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15 |