5EZP
Human transthyretin (TTR) complexed with 4-hydroxy-chalcone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 31 |
| Unit cell lengths | 62.480, 62.480, 238.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.720 - 2.500 |
| R-factor | 0.21173 |
| Rwork | 0.210 |
| R-free | 0.24467 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pmf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.895 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.210 | 1.720 |
| Number of reflections | 35643 | |
| <I/σ(I)> | 8.52 | 1.15 |
| Completeness [%] | 99.5 | 97.8 |
| Redundancy | 5.5 | 5.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Protein: 5mg/ML in 0.05 M NaCl, 0.025 M Na acetate, pH 5.5 and 0.001 M 4-hydroxychalcone Reservoir: 30% PEG4K, 0.1M Tris-HCl, pH 8.5 4 boosts (5 M NaCl) Cryoprotectant: CryoSol SM1, 25% PEG 4K, 0.1 M (Na acetate, ADA, Bicine) Buffer 20% acid / 80% basic 0.01 M ligand. |
