4TTC
Crystal structure of homo sapiens IODOTYROSINE DEIODINASE bound to FMN and mono-iodotyrosine (MIT)
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 61 |
Unit cell lengths | 104.747, 104.747, 303.338 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.858 - 2.650 |
R-factor | 0.1725 |
Rwork | 0.170 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1000202202 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.280 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.554 | |
Number of reflections | 54565 | |
<I/σ(I)> | 27.1 | 4.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.6 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 0.15 M sodium acetate, 85 mM Tris-HCl, 25.5 % w/v polyethylene glycol 4,000 and 15 % glycerol |