9H7K
Human Transthyretin in Complex with 8-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-29 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 41.107, 63.069, 83.837 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.400 - 1.600 |
| R-factor | 0.17925 |
| Rwork | 0.176 |
| R-free | 0.23552 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.962 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.070 | 1.638 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.043 | 0.176 |
| Rpim | 0.022 | 0.145 |
| Number of reflections | 29346 | 1919 |
| <I/σ(I)> | 17.78 | |
| Completeness [%] | 98.6 | |
| Redundancy | 4.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294.15 | 100 mM HEPES, 200 mM CaCl2, 28% v/v PEG400, pH 7.5 |
