3QJ9
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.560, 104.720, 148.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.1803 |
Rwork | 0.178 |
R-free | 0.22080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.193 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.383 | 49.520 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.074 | 0.441 | |
Total number of observations | 9564 | 43259 | |
Number of reflections | 60454 | ||
<I/σ(I)> | 9.2 | 7.1 | 1.7 |
Completeness [%] | 95.0 | 90.9 | 93.8 |
Redundancy | 5.2 | 4.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | PEG3350, NH4F, pH 5.5, vapor diffusion, hanging drop, temperature 289K |