7ZKF
Crystal Structure of human Brachyury G177D variant in complex with CF-5-86
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | H 3 2 |
Unit cell lengths | 99.960, 99.960, 99.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.980 - 1.490 |
R-factor | 0.1833 |
Rwork | 0.181 |
R-free | 0.21900 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.006 |
RMSD bond angle | 0.832 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.980 | 1.546 |
High resolution limit [Å] | 1.490 | 1.493 |
Rmerge | 0.045 | 0.747 |
Number of reflections | 24512 | 718 |
<I/σ(I)> | 32.76 | 0.81 |
Completeness [%] | 79.0 | 23.11 |
Redundancy | 16 | |
CC(1/2) | 0.990 | 0.617 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M SPG pH 7.0, 30 % PEG 1000 |