4IE5
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 141.391, 141.391, 84.184 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.770 - 1.950 |
| Rwork | 0.183 |
| R-free | 0.20310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lfm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.171 |
| 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 | 2.030 |
| High resolution limit [Å] | 1.950 | 4.221 | 1.950 |
| Rmerge | 0.097 | 0.046 | |
| Number of reflections | 45555 | ||
| <I/σ(I)> | 10.7 | 20.5 | 2.1 |
| Completeness [%] | 99.8 | 98.5 | 100 |
| Redundancy | 6 | 5.8 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 9% PEG 3350, 100mM trisodium citrate pH5.6, 4% tert-butanol, 1mM ZnSO4, 1mM MD6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
