4CXX
Crystal structure of human FTO in complex with acylhydrazine inhibitor 16
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 | 2014-03-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 140.717, 140.717, 83.306 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.181 - 2.760 |
| R-factor | 0.2128 |
| Rwork | 0.210 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ie5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.315 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.180 | 2.760 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Rmerge | 0.040 | 0.700 |
| Number of reflections | 16658 | |
| <I/σ(I)> | 17.96 | 1.91 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 4.04 | 3.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 293 | 100 MM SODIUM CITRATE, PH 5.6, 10% PEG 3350, 10% T-BUTANOL, 1MM NISO4, 1.5 MM LIGAND, 293 K |
