4PME
Human transthyretin (TTR) complexed with ferulic acid and curcumin.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979338 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.990, 84.670, 64.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.335 - 1.264 |
R-factor | 0.1822 |
Rwork | 0.181 |
R-free | 0.20660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pm1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.178 |
Data scaling software | XDS |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.335 | 1.340 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.055 | |
Number of reflections | 63061 | |
<I/σ(I)> | 18.58 | 1.02 |
Completeness [%] | 99.7 | 98.2 |
Redundancy | 8.84 | 8.53 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | protein: 5 mg/ml dialysed in 0.1 M NaCl, 0.05 M NaAc, pH 5.5 with 5 milli-M curcumin. precipitant:: 45% MPEG 2,000, 0.1 M sodium cacodylate, pH 7.5. Cryoprotectant: 40% mixed (25% dioxane, 25% DMSO, 12.5% ethylene glycol, 12.5% 1,2-propanediol, 12.5% glycerol, 12.5% 2,3-butanediol), 50% (25% MPEG 5000, 0.1 M mixed (Na acetate, ADA, Bicine buffer: 40% pH 4.0 / 60% pH 9.0) |