4N87
Crystal structure of V30M mutant 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 | 2013-05-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.026, 84.948, 64.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.225 - 1.794 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.103 |
| 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] | 33.000 | 1.830 |
| High resolution limit [Å] | 1.794 | 1.800 |
| Rmerge | 0.069 | 0.642 |
| Number of reflections | 22235 | |
| <I/σ(I)> | 23 | 1.3 |
| Completeness [%] | 97.7 | 94.1 |
| Redundancy | 4.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 32% PEG 400, 0.4M CaCl2, 0.1M HEPES, 0.5mM Glabridin, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
