5IHH
Crystal structure of human transthyretin in complex with luteolin-MeO at 1.35 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 42.886, 63.834, 85.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.980 - 1.350 |
R-factor | 0.141 |
Rwork | 0.139 |
R-free | 0.16600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.968 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.000 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.617 | |
Number of reflections | 52635 | |
<I/σ(I)> | 19.1 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | Purified TTRwt was dialyzed against 10 mM sodiumphosphate buffer with 100 mM KCl pH 7.6 and concentrated to 5 mg per ml. 7MeOLut was added at 5 x molar excess to the protein. The reservoir contained 1.3 to 1.6 M sodium citrate and 3.5 percent glycerol at pH 5.5. Drop size 3 plus 3 microliter |