3W3B
Crystal structure of wild-type human transthyretin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.425 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.420, 83.490, 63.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.850 - 1.900 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tta |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.030 |
| Data reduction software | MOSFLM |
| 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] | 63.500 | 21.849 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.057 | 0.028 | 0.254 |
| Rmeas | 0.034 | 0.302 | |
| Rpim | 0.019 | 0.162 | |
| Total number of observations | 1936 | 7738 | |
| Number of reflections | 17774 | ||
| <I/σ(I)> | 19.9 | 48.6 | 3.2 |
| Completeness [%] | 97.0 | 97.5 | 93.7 |
| Redundancy | 3.2 | 3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
