2WJ1
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(4-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole
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 | 2009-02-07 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.830, 106.210, 79.390 |
Unit cell angles | 90.00, 100.20, 90.00 |
Refinement procedure
Resolution | 36.306 - 1.840 |
R-factor | 0.1873 |
Rwork | 0.186 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vya |
RMSD bond length | 0.014 |
RMSD bond angle | 1.469 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.300 | 1.900 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.100 | 0.620 |
Number of reflections | 106195 | |
<I/σ(I)> | 8.7 | 2.1 |
Completeness [%] | 99.0 | 99 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |