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 |
