5DEJ
Transthyretin natural mutant A19D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-27 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.930, 41.750, 62.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.552 - 1.370 |
R-factor | 0.1799 |
Rwork | 0.178 |
R-free | 0.20740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.073 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.750 | 41.750 | 1.410 |
High resolution limit [Å] | 1.370 | 6.130 | 1.370 |
Rmerge | 0.061 | 0.043 | 0.591 |
Number of reflections | 46599 | ||
<I/σ(I)> | 11.7 | ||
Completeness [%] | 97.1 | 93.5 | 98 |
Redundancy | 4 | 3.8 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM HEPES, 200 mM CaCl2 and 28% PEG400, pH 7.5 |