6ZU8
Crystal structure of human Brachyury G177D variant in complex with Afatinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.107, 49.269, 83.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.460 - 1.950 |
R-factor | 0.2196 |
Rwork | 0.218 |
R-free | 0.26020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f59 |
Data reduction software | XDS |
Data scaling software | XDS (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.740 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.088 | 1.593 |
Rmeas | 0.093 | 1.681 |
Rpim | 0.030 | 0.526 |
Number of reflections | 13591 | 937 |
<I/σ(I)> | 13.6 | 1.6 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 9.7 | 9.8 |
CC(1/2) | 0.999 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Mes Ph 6.0, 0.2 M Ammonium Chloride, 20 % PEG 6000, 10 % Ethylene Glycol. |