3QKV
Crystal structure of fatty acid amide hydrolase with small molecule compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | ADSC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.820, 104.080, 147.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.100 |
| R-factor | 0.2676 |
| Rwork | 0.267 |
| R-free | 0.28910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mt5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.836 |
| 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] | 45.153 | 45.153 | 3.270 |
| High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
| Rmerge | 0.068 | 0.493 | |
| Total number of observations | 3581 | 16249 | |
| Number of reflections | 26148 | ||
| <I/σ(I)> | 5.5 | 8.4 | 1.6 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 4.3 | 3.9 | 4.3 |
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 |
