4DES
Crystal Structure of the Wild Type TTR Binding Chrysin (TTRwt:CHR)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.43 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.476, 83.286, 62.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.270 - 1.750 |
| R-factor | 0.1969 |
| Rwork | 0.195 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.663 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.095 | 0.056 | 0.454 |
| Number of reflections | 24539 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 97.7 | 98.4 | 88.6 |
| Redundancy | 4.8 | 4.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M calcium chloride, 0.1 M HEPES, pH 7.5, 28% PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
