6TYK
Crystal structure of iodotyrosine deiodinase (IYD) in the semiquinone form bound to FMN and 3-iodo-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 | 2019-02-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.035, 81.176, 104.146 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.818 - 1.350 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.19410 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.006 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.020 | 38.020 | 1.370 |
| High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
| Rmerge | 0.092 | 0.080 | 1.487 |
| Rmeas | 0.102 | 0.088 | 1.668 |
| Rpim | 0.043 | 0.037 | 0.741 |
| Total number of observations | 437630 | 3052 | 19380 |
| Number of reflections | 80875 | 586 | 3926 |
| <I/σ(I)> | 8.2 | 16.2 | 1.6 |
| Completeness [%] | 99.9 | 99.5 | 99 |
| Redundancy | 5.4 | 5.2 | 4.9 |
| CC(1/2) | 0.997 | 0.992 | 0.459 |
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 |
