4IE6
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-02 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | H 3 |
| Unit cell lengths | 141.458, 141.458, 83.807 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.841 - 2.504 |
| Rwork | 0.170 |
| R-free | 0.21040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lfm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.203 |
| 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 | 0.073 | 0.054 | 0.455 |
| Number of reflections | 21417 | ||
| <I/σ(I)> | 14.9 | 19.9 | 3.5 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 4.8 | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 11.5% PEG 3350, 100mM trisodium citrate pH 5.6, 4% tert-butanol, 1mM ZnSO4, 1.5mM UN9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
