4TR4
Mouse iodothyronine deiodinase 3 catalytic core, active site mutant SeCys->Cys
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.807, 54.188, 66.493 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.000 - 1.930 |
| R-factor | 0.1933 |
| Rwork | 0.191 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tr3 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.523 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0042) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 4.160 | 1.930 |
| Rmerge | 0.086 | 0.049 | 0.348 |
| Total number of observations | 77104 | ||
| Number of reflections | 13799 | ||
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 98.5 | 99.9 | 89.5 |
| Redundancy | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20 % PEG 3350, 0.2 M Ammoniumcitrate |
