7HI9
PanDDA analysis group deposition of ground-state model of human Brachyury G177D variant
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 | 2018-12-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 99.734, 99.734, 99.325 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.870 - 1.420 |
| R-factor | 0.1988 |
| Rwork | 0.198 |
| R-free | 0.22310 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6f58 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.715 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.860 | 49.860 | 1.460 |
| High resolution limit [Å] | 1.420 | 6.350 | 1.420 |
| Rmerge | 0.038 | 0.022 | 1.198 |
| Rmeas | 0.040 | 0.024 | 1.332 |
| Rpim | 0.013 | 0.008 | 0.575 |
| Total number of observations | 295722 | 3986 | 13585 |
| Number of reflections | 35889 | 450 | 2607 |
| <I/σ(I)> | 21 | 73 | 1.2 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.2 | 8.9 | 5.2 |
| CC(1/2) | 1.000 | 1.000 | 0.562 |
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 |
