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 |