5YAK
The crystal structure of human IYD Thr239 mutant with ligand 3-Fluorotyrosine (F-Tyr)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 61 |
Unit cell lengths | 105.079, 105.079, 300.202 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.520 - 2.300 |
R-factor | 0.18526 |
Rwork | 0.183 |
R-free | 0.22622 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ttc |
RMSD bond length | 0.012 |
RMSD bond angle | 1.544 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.520 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.093 | |
Number of reflections | 82734 | |
<I/σ(I)> | 41.5 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 8 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.17 M sodium acetate, 85 mM Tris-HCl (pH 8.5), 22.5 % w/v polyethylene glycol 4,000 and 15 % glycerol. |