3UVV
Crystal Structure of the ligand binding domains of the thyroid receptor:retinoid X receptor complexed with 3,3',5 triiodo-L-thyronine and 9-cis retinoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-31 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.54984 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 129.130, 165.320, 85.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.550 - 2.950 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h77 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.030 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.052 | 0.747 |
| Number of reflections | 19341 | |
| <I/σ(I)> | 15.57 | 2.22 |
| Completeness [%] | 98.7 | 97.5 |
| Redundancy | 4.24 | 4.29 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 100 mM HEPES (pH 7.3), 200 mM Tri-Sodium citrate dihydrate, 15% Isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
