5U49
Wild-type Transthyretin in complex with 5-[(1E)-2-(2-Chloro-4-hydroxyphenyl)ethenyl]-1,3-benzenediol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.239801 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 44.517, 65.895, 84.594 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.000 - 2.220 |
R-factor | 0.209 |
Rwork | 0.202 |
R-free | 0.27500 |
Starting model (for MR) | pdbid 2QGB |
RMSD bond length | 0.008 |
RMSD bond angle | 1.044 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.000 | 50.000 | 2.290 |
High resolution limit [Å] | 2.220 | 6.100 | 2.220 |
Rmerge | 0.364 | 0.107 | 1.537 |
Number of reflections | 5956 | 300 | |
<I/σ(I)> | 19.2 | ||
Completeness [%] | 98.7 | 98.8 | 98 |
Redundancy | 6.6 | 6.9 | 4.4 |
CC(1/2) | 0.978 | 0.101 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.3 M Sodium Citrate, 3.0% Glycerol |