4DET
Crystal Structure of the Wild Type TTR Binding Kaempferol (TTRwt:KAE)
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 | 2009-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.4586 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.326, 85.666, 64.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.101 - 2.050 |
| R-factor | 0.2129 |
| Rwork | 0.212 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.036 |
| RMSD bond angle | 1.802 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.104 | 0.040 | 0.603 |
| Number of reflections | 19374 | ||
| <I/σ(I)> | 7 | ||
| Completeness [%] | 99.0 | 99 | 94.6 |
| Redundancy | 4.5 | 4.5 | 3.4 |
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 |
