6FWD
Crystal structure of human transthyretin double mutant R34G/T119M at pH 5.5
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 | 2016-07-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 43.127, 63.958, 85.978 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.317 - 1.576 |
R-factor | 0.1987 |
Rwork | 0.197 |
R-free | 0.22880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.681 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (1.7.3-928) |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.958 | 63.958 | 1.581 |
High resolution limit [Å] | 1.576 | 7.310 | 1.576 |
Rmerge | 0.112 | 0.047 | 1.331 |
Rmeas | 0.122 | 0.052 | 1.433 |
Rpim | 0.047 | 0.021 | 0.526 |
Total number of observations | 232010 | 2518 | 2635 |
Number of reflections | 31271 | 409 | 342 |
<I/σ(I)> | 15.7 | 36.6 | 2.7 |
Completeness [%] | 93.0 | 100 | 98.3 |
Redundancy | 7.4 | 6.2 | 7.7 |
CC(1/2) | 0.997 | 0.997 | 0.683 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 7% glycerol, 1.3 M sodium citrate, pH 5.5 |