6E72
Structure of Human Transthyretin Val30Met Mutant in Complex with Tafamidis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.040, 85.240, 63.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.830 - 1.450 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.20500 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.830 | 19.830 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.063 | 0.050 | 0.781 |
Rmeas | 0.071 | 0.056 | 0.873 |
Number of reflections | 42335 | 530 | 3124 |
<I/σ(I)> | 11.84 | 25.02 | 1.87 |
Completeness [%] | 99.7 | 95.2 | 100 |
Redundancy | 5.039 | 4.842 | 5.109 |
CC(1/2) | 0.997 | 0.996 | 0.691 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.2M Lithium Sulfate Monohydrate, 20% (w/v) PEG 3350 |