7ZL2
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810
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 | 2020-10-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | H 3 2 |
Unit cell lengths | 99.970, 99.970, 99.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.090 - 1.800 |
R-factor | 0.2258 |
Rwork | 0.223 |
R-free | 0.27260 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.002 |
RMSD bond angle | 0.524 |
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] | 65.270 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.124 | 2.187 |
Number of reflections | 17841 | 873 |
<I/σ(I)> | 16.5 | 1.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 20.4 | |
CC(1/2) | 0.990 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M SPG pH 7.0, 30 % PEG 1000 |