5QSC
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z300245038
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 | 2018-12-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | H 3 2 |
Unit cell lengths | 99.910, 99.910, 99.550 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.310 - 1.620 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.22990 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6f58 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.561 |
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] | 49.980 | 49.980 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.105 | 0.069 | 1.743 |
Rmeas | 0.111 | 0.074 | 1.879 |
Rpim | 0.036 | 0.024 | 0.695 |
Total number of observations | 228899 | 2824 | 13653 |
Number of reflections | 25427 | ||
<I/σ(I)> | 8.8 | 21.6 | 1.1 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 9 | 8.7 | 7.3 |
CC(1/2) | 0.998 | 0.997 | 0.500 |
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 |