8RQO
Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 110.199, 110.199, 134.579 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 95.450 - 2.740 |
| R-factor | 0.19534 |
| Rwork | 0.193 |
| R-free | 0.22784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.540 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.450 | 2.990 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.044 | 0.450 |
| Rmeas | 0.051 | 0.515 |
| Number of reflections | 12868 | 2920 |
| <I/σ(I)> | 19.7 | 3.33 |
| Completeness [%] | 97.2 | 98.5 |
| Redundancy | 4.2 | 4.1 |
| CC(1/2) | 1.000 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M ADA pH 6.5, 1 M Ammoniumsulfate |
