4TTB
Crystal structure of homo sapiens IODOTYROSINE DEIODINASE (IYD) bound to FMN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 31 |
Unit cell lengths | 72.892, 72.892, 95.515 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.086 - 2.447 |
R-factor | 0.1932 |
Rwork | 0.193 |
R-free | 0.20260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3to0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.142 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.447 | 2.447 |
Rmerge | 0.613 | |
Number of reflections | 20957 | |
<I/σ(I)> | 33.8 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.2 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.05 M ammonium sulfate, 25% Pentaerythritol ethoxylate, 50 mM BISTRIS |