8IT9
Co-crystal structure of FTO bound to 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | H 3 |
| Unit cell lengths | 142.189, 142.189, 84.358 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 71.090 - 2.140 |
| R-factor | 0.22243 |
| Rwork | 0.222 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.075 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.090 | 2.250 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.061 | 0.386 |
| Number of reflections | 34944 | 5181 |
| <I/σ(I)> | 10.5 | 2.5 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM sodium citrate, pH 5.4, 11.5% (w/v) polyethylene glycol (PEG) 3350, and 8% isopropanol |
