7Q9O
Complex of Transthyretin with resveratrol exhibits multiple binding modes
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 | 43.068, 64.304, 85.293 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.470 - 1.350 |
R-factor | 0.1397 |
Rwork | 0.138 |
R-free | 0.17490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | In house model |
RMSD bond length | 0.013 |
RMSD bond angle | 1.575 |
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] | 43.070 | 43.070 | 1.370 |
High resolution limit [Å] | 1.350 | 7.270 | 1.350 |
Rmerge | 0.041 | 0.031 | 1.174 |
Rmeas | 0.044 | 0.034 | 1.268 |
Rpim | 0.017 | 0.014 | 0.476 |
Number of reflections | 51539 | 369 | 2525 |
<I/σ(I)> | 18.9 | ||
Completeness [%] | 97.9 | 91.9 | 95.3 |
Redundancy | 6.7 | 5.3 | 6.9 |
CC(1/2) | 0.999 | 0.999 | 0.672 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | protein 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. |