9H48
Mouse Iodothyronine deiodinase 2 catalytic core, mutant - LysLys180AlaAla, Secys-> Cys
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 32 |
| Unit cell lengths | 47.772, 47.772, 64.686 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.850 - 1.090 |
| R-factor | 0.1459 |
| Rwork | 0.145 |
| R-free | 0.16940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tr3 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.450 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.850 | 1.128 |
| High resolution limit [Å] | 1.089 | 1.089 |
| Rmerge | 0.069 | |
| Rmeas | 0.077 | |
| Number of reflections | 65565 | 4435 |
| <I/σ(I)> | 9.45 | 0.39 |
| Completeness [%] | 94.8 | 64.62 |
| Redundancy | 5.4 | 3.6 |
| CC(1/2) | 0.999 | 0.117 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M SPG buffer pH 7.0, 25% (w/v) PEG 1500 |
