4IE4
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with 5-carboxy-8-hydroxyquinoline (IOX1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-15 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 141.634, 141.634, 84.592 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.831 - 2.505 |
| Rwork | 0.205 |
| R-free | 0.24250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lfm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.105 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.2) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.177 | 0.155 | 0.919 |
| Number of reflections | 21717 | ||
| <I/σ(I)> | 12.9 | 7.8 | 2.1 |
| Completeness [%] | 99.8 | 99.2 | 100 |
| Redundancy | 4.9 | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 13% PEG 3350, 100mM trisodium citrate pH 5.6, 4% tert-butanol, 1mM ZnSO4, 2mM 8XQ , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
