4CXW
Crystal structure of human FTO in complex with subfamily-selective inhibitor 12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 141.613, 141.613, 83.812 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.880 - 3.100 |
| R-factor | 0.1841 |
| Rwork | 0.181 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ie5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.438 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.100 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.060 | 0.500 |
| Number of reflections | 22939 | |
| <I/σ(I)> | 11.28 | 1.98 |
| Completeness [%] | 95.2 | 90.5 |
| Redundancy | 2.57 | 2.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100 MM SODIUM CITRATE, PH5.6, 10% PEG 3350, 10% T-BUTANOL, 1 MM NISO4, 1.5 MM LIGAND |
