3QK5
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 | 91.431, 104.701, 148.596 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.860 - 2.200 |
R-factor | 0.1858 |
Rwork | 0.184 |
R-free | 0.22380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mt5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.193 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.589 | 85.589 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.124 | 0.058 | 0.410 |
Total number of observations | 12496 | 47923 | |
Number of reflections | 72512 | ||
<I/σ(I)> | 13.2 | 8.5 | 1.8 |
Completeness [%] | 99.4 | 97.9 | 99.1 |
Redundancy | 5.1 | 5.1 | 4.6 |
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 |