9S95
Strucutre of human transthyretin mutant I68L bound to tafamidis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 VENTURE |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-12 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.128, 84.748, 64.521 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.300 - 1.550 |
| R-factor | 0.20368 |
| Rwork | 0.203 |
| R-free | 0.22474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.691 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.300 | 1.640 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.100 | 0.700 |
| Number of reflections | 32723 | 4534 |
| <I/σ(I)> | 6.6 | 1.1 |
| Completeness [%] | 95.1 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.990 | 0.460 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES, 0.4 M CaCl2, 34% PEG400 |
