6TXW
V30G Transthyretin structure in complex with Tolcalpone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97908 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 43.674, 65.631, 84.355 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.630 - 1.153 |
R-factor | 0.1602 |
Rwork | 0.159 |
R-free | 0.18480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.887 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHENIX (1.17.1_3660) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 84.355 | 84.355 | 1.157 |
High resolution limit [Å] | 1.150 | 5.353 | 1.150 |
Rmerge | 0.125 | 0.122 | 0.966 |
Rmeas | 0.137 | 0.137 | 1.000 |
Rpim | 0.055 | 0.060 | 0.465 |
Number of reflections | 83049 | 964 | 846 |
<I/σ(I)> | 8.1 | ||
Completeness [%] | 96.5 | 97.8 | 95.3 |
Redundancy | 6.3 | 5.5 | 5.1 |
CC(1/2) | 0.987 | 0.971 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2M CaCl2, 30% PEG400, 0.1M HEPES pH 7.0 |