6Q1B
Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and 3-fluoro-L-tyrosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.305, 80.772, 102.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.554 - 1.596 |
| R-factor | 0.1676 |
| Rwork | 0.166 |
| R-free | 0.20320 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.393 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.080 | 39.080 | 1.620 |
| High resolution limit [Å] | 1.596 | 8.740 | 1.600 |
| Rmerge | 0.130 | 0.068 | 1.618 |
| Rmeas | 0.133 | 0.069 | 1.653 |
| Rpim | 0.026 | 0.014 | 0.332 |
| Total number of observations | 8477 | 49162 | |
| Number of reflections | 47254 | 356 | 2162 |
| <I/σ(I)> | 17 | 34 | 2.1 |
| Completeness [%] | 99.6 | 99.4 | 93.2 |
| Redundancy | 26.1 | 23.8 | 22.7 |
| CC(1/2) | 0.999 | 0.999 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM sodium citrate, pH 4.5, 3 M sodium chloride |
