2NLL
RETINOID X RECEPTOR-THYROID HORMONE RECEPTOR DNA-BINDING DOMAIN HETERODIMER BOUND TO THYROID RESPONSE ELEMENT DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 1995-01-01 |
| Detector | CUSTOM-MADE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.900, 65.600, 125.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.900 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.26900 |
| Structure solution method | MIR |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.970 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.083 * | 0.311 * |
| Number of reflections | 44875 | 2175 * |
| <I/σ(I)> | 18.9 | 4.1 |
| Completeness [%] | 87.0 | 51 |
| Redundancy | 2.0 * | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 17 * | CRYSTALLIZED FROM 40% PEG 3350 25 MM IMADAZOLE BUFFER, PH 7.0, 400 MM NH4CL, 10 MM DTT, AND 5 MM MGCL2 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | PEG 3350 | ||
| 3 | 1 | 1 | IMIDAZOLE | ||
| 4 | 1 | 1 | NH4CL | ||
| 5 | 1 | 1 | DTT | ||
| 6 | 1 | 1 | MGCL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.6 (mM) | |
| 10 | 1 | reservoir | 5 (mM) | ||
| 11 | 1 | drop | precipitant solution | same amount of the complex | |
| 2 | 1 | drop | imidazole | 25 (mM) | |
| 3 | 1 | drop | 400 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | 5 (mM) | ||
| 6 | 1 | reservoir | PEG3350 | 40 (%(w/v)) | precipitant |
| 7 | 1 | reservoir | imidazole | 25 (mM) | precipitant |
| 8 | 1 | reservoir | 400 (mM) | precipitant | |
| 9 | 1 | reservoir | dithiothreitol | 10 (mM) |
