6E78
Structure of Human Transthyretin Asp38Ala Mutant in Complex with Diflunisal
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 | 2018-03-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.210, 85.440, 64.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.150 - 1.499 |
R-factor | 0.1908 |
Rwork | 0.188 |
R-free | 0.21290 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.811 |
Data reduction software | XDS (Jan 26, 2018) |
Data scaling software | XSCALE (Jan 26, 2018) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.150 | 64.150 | 1.540 |
High resolution limit [Å] | 1.500 | 6.700 | 1.500 |
Rmerge | 0.039 | 0.039 | 0.752 |
Rmeas | 0.041 | 0.041 | 0.788 |
Total number of observations | 494029 | ||
Number of reflections | 38734 | 512 | 2750 |
<I/σ(I)> | 33.03 | 65.12 | 2.93 |
Completeness [%] | 99.6 | 100 | 97 |
Redundancy | 12.754 | 11.453 | 10.98 |
CC(1/2) | 0.999 | 0.999 | 0.909 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 30% (W/V) PEG-400, 0.1M Sodium Acetate, 0.2M Calcium Acetate |