6Q1L
Crystal structure of oxidized iodotyrosine deiodinase (IYD) 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 | 2018-11-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.861, 81.232, 103.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.910 - 1.600 |
| R-factor | 0.1721 |
| Rwork | 0.171 |
| R-free | 0.20270 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.127 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.910 | 37.910 | 1.630 |
| High resolution limit [Å] | 1.598 | 8.750 | 1.600 |
| Rmerge | 0.077 | 0.057 | 0.737 |
| Rmeas | 0.086 | 0.065 | 0.833 |
| Rpim | 0.039 | 0.029 | 0.380 |
| Total number of observations | 1452 | 9484 | |
| Number of reflections | 47126 | 316 | 2264 |
| <I/σ(I)> | 10.7 | 23.5 | 2.1 |
| Completeness [%] | 96.9 | 90.5 | 95.5 |
| Redundancy | 4.5 | 4.6 | 4.2 |
| CC(1/2) | 0.993 | 0.997 | 0.801 |
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 |
