3IPE
Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (7 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 | 2006-09-29 |
| Detector | ADSC |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.241, 84.876, 63.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.260 - 1.400 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rox |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.382 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.062 | |
| Number of reflections | 45900 | |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 98.1 | 90.3 |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 298 | 25- 32% v/v PEG550-monomethyl ether, 70 mM NaAc buffer pH 4-5 and 100 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
