4DEW
Crystal Structure of the Wild Type TTR Binding Luteolin (TTRwt:LUT)
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 | 2009-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.4586 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.264, 84.782, 65.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.007 - 1.899 |
R-factor | 0.1843 |
Rwork | 0.183 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cfm |
RMSD bond length | 0.036 |
RMSD bond angle | 1.624 |
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] | 1.899 | 4.090 | 1.899 |
Rmerge | 0.077 | 0.040 | 0.380 |
Number of reflections | 19276 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 98.6 | 99.9 | 90.2 |
Redundancy | 3.9 | 3.8 | 3.5 |
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 |