6PZ0
Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and 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 | 2018-07-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.886, 81.815, 103.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.669 - 1.800 |
| R-factor | 0.1519 |
| Rwork | 0.149 |
| R-free | 0.19640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k08 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.233 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.670 | 35.670 | 1.840 |
| High resolution limit [Å] | 1.799 | 8.990 | 1.800 |
| Rmerge | 0.072 | 0.048 | 0.224 |
| Rmeas | 0.078 | 0.052 | 0.245 |
| Rpim | 0.030 | 0.021 | 0.099 |
| Total number of observations | 2022 | 11584 | |
| Number of reflections | 34678 | 336 | 1965 |
| <I/σ(I)> | 15.1 | 25.3 | 5.1 |
| Completeness [%] | 99.8 | 98.7 | 97.7 |
| Redundancy | 6.5 | 6 | 5.9 |
| CC(1/2) | 0.998 | 0.997 | 0.973 |
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 |
