4PMF
Human transthyretin (TTR) complexed with 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) | 0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.255, 85.487, 64.168 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.000 - 1.350 |
R-factor | 0.1777 |
Rwork | 0.176 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pm1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.258 |
Data scaling software | XDS |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.065 | |
Number of reflections | 52995 | |
<I/σ(I)> | 18.07 | 1.94 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 8.95 | 9.03 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Precipitant: 40% MPEG 2,000, 1% dioxane, 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 5K, 0.1 M mixed (sodium acetate, ADA, bicine 20% pH 4 and 80% pH 9), 3 milli-M Curcumin for 20 min |