7Q9L
Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-18 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97993 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 43.048, 64.749, 85.046 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.560 - 1.450 |
R-factor | 0.1344 |
Rwork | 0.133 |
R-free | 0.16330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house model |
RMSD bond length | 0.012 |
RMSD bond angle | 1.467 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.050 | 43.050 | 1.470 |
High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
Rmerge | 0.051 | 0.053 | 1.376 |
Rmeas | 0.054 | 0.058 | 1.444 |
Rpim | 0.017 | 0.022 | 0.431 |
Number of reflections | 42962 | 316 | 2115 |
<I/σ(I)> | 22.1 | ||
Completeness [%] | 100.0 | 97 | 99.9 |
Redundancy | 10.5 | 7.5 | 10.7 |
CC(1/2) | 0.999 | 0.994 | 0.799 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | TTR:SB11 complex at 5.2mg/ml in 10mM sodium phosphate pH7.6 and 100mM potassium chloride was mixed 1:1 with 1.3-1.6M sodium citrate and 3.5% glycerol. |