3IPB
Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (11 carbon linker).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.958, 84.681, 62.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.000 - 1.900 |
| R-factor | 0.20245 |
| Rwork | 0.201 |
| R-free | 0.22909 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.232 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0090) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.073 | 0.350 |
| Number of reflections | 20908 | |
| <I/σ(I)> | 19.4 | 6.2 |
| Completeness [%] | 93.5 | 93.5 |
| Redundancy | 6.8 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 25- 32% v/v PEG550-monomethyl ether, 70 mM NaAc buffer pH 4-5 and 100 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
