4IKI
Crystal structure of wild-type human transthyretin in complex with indomethacin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-05-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.090, 86.120, 63.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.100 - 2.000 |
R-factor | 0.1746 |
Rwork | 0.172 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 2.134 |
Data reduction software | MOSFLM (3.2.25) |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.520 | 43.073 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.071 | 0.030 | 0.410 |
Rmeas | 0.033 | 0.446 | |
Rpim | 0.014 | 0.171 | |
Total number of observations | 3679 | 14790 | |
Number of reflections | 16478 | ||
<I/σ(I)> | 20.4 | 48.1 | 4.3 |
Completeness [%] | 99.4 | 99.7 | 98.9 |
Redundancy | 6.5 | 6.1 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 10mg/mL wtTTR, 22% peg 400, 100mM Tris pH 7.4, 100mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K |