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 |