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. |