6AK4
Crystal structure of human FTO in complex with small-molecule inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | H 3 |
| Unit cell lengths | 141.770, 141.770, 83.751 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.880 - 2.800 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lfm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.125 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.890 | 2.960 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 14979 | |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 97.3 | |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 10.0% (W/V) PEG 3350, 100 MM SODIUM CITRATE, PH 5.6, 7% TERT-BUTANOL, 1 MM ZNSO4, 1 MM COMPOUND, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
