7HI8
PanDDA analysis group deposition -- Crystal Structure of ground state model of human Brachyury
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 60.318, 60.318, 110.014 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.890 - 1.540 |
| R-factor | 0.2275 |
| Rwork | 0.227 |
| R-free | 0.24110 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6f58 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.981 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.890 | 1.590 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.126 | 2.000 |
| Rmeas | 0.132 | |
| Rpim | 0.037 | |
| Total number of observations | 171699 | |
| Number of reflections | 30834 | 2746 |
| <I/σ(I)> | 12.9 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.5 | 10 |
| CC(1/2) | 0.999 | 0.645 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M CdCl, 0.1 M Acetate pH 4.5, 32% PEG 400 |
