4AZR
Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-21 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.120, 115.150, 108.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.950 |
| R-factor | 0.22161 |
| Rwork | 0.219 |
| R-free | 0.26798 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b56 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.293 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.000 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.110 | 0.580 |
| Number of reflections | 9014 | |
| <I/σ(I)> | 16.1 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% PEG 3350, 0.1 M HEPES PH 7.5. FABP INCUBATED IN A SOLUTION SATURATED WITH RESPECT TO ANANDAMIDE PRIOR TO CRYSTALLIZATION. CRYPROTECTION: 25% GLYCEROL IN MOTHER LIQUOR. |
