3LJ6
3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH THE DRUG-LIKE UREA INHIBITOR PF-3845 at 2.42A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.590, 105.320, 221.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.615 - 2.420 |
| R-factor | 0.1626 |
| Rwork | 0.161 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wj1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.257 |
| Data reduction software | XDS (package) |
| Data scaling software | XDS (package) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.500 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.107 | 0.474 |
| Number of reflections | 64062 | |
| <I/σ(I)> | 11.8 | 2.4 |
| Completeness [%] | 98.8 | 88.4 |
| Redundancy | 4.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 287 | 30% PEG400 100 mM MES, 400 mM LiCl 100 mM NaCl, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 287K |
