4N86
Crystal structure of human transthyretin complexed with glabridin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-15 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.829, 84.582, 65.265 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.210 - 2.001 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.815 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (1.8_1069) |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.210 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.832 |
| Number of reflections | 16376 | |
| <I/σ(I)> | 17.4 | 1.7 |
| Completeness [%] | 98.5 | 97.1 |
| Redundancy | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 34.2% PEG 400, 0.36M CaCl2, 0.09M HEPES, 1mM glabridin, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
