8PUY
TEAD2 with a covalent inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-06-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9697 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.690, 61.598, 79.699 |
Unit cell angles | 90.00, 117.51, 90.00 |
Refinement procedure
Resolution | 48.380 - 2.200 |
R-factor | 0.22156 |
Rwork | 0.221 |
R-free | 0.25201 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.406 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.380 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 73715 | 2617 |
<I/σ(I)> | 12.63 | |
Completeness [%] | 96.5 | |
Redundancy | 2.8 | |
CC(1/2) | 0.997 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.8M sodium formate |