4IE0
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA)
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 | 2012-10-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | H 3 |
| Unit cell lengths | 142.168, 142.168, 83.705 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.631 - 2.530 |
| Rwork | 0.176 |
| R-free | 0.21290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lfm |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.184 |
| 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 | 2.620 |
| High resolution limit [Å] | 2.530 | 5.450 | 2.530 |
| Rmerge | 0.123 | 0.070 | 0.632 |
| Number of reflections | 21499 | ||
| <I/σ(I)> | 14.9 | 11.4 | 2.3 |
| Completeness [%] | 99.6 | 98.7 | 100 |
| Redundancy | 4.6 | 4.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 11% PEG 3350, 100mM trisodium citrate pH 5.6, 4% tert-butanol, 1mM ZnSO4, 1mM PD2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
