7UCD
Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-04-10 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 48.260, 67.670, 122.943 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.050 - 3.210 |
R-factor | 0.2845 |
Rwork | 0.280 |
R-free | 0.32970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vpf poly-alanine |
RMSD bond length | 0.009 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.923 | 2.779 |
High resolution limit [Å] | 2.446 | 2.446 |
Rmerge | 0.216 | 2.605 |
Rmeas | 0.233 | 2.804 |
Rpim | 0.085 | 1.019 |
Number of reflections | 3060 | 191 |
<I/σ(I)> | 6.7 | 1.3 |
Completeness [%] | 84.9 | 72.7 |
Redundancy | 7.2 | 7 |
CC(1/2) | 0.996 | 0.664 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM Tris HCl pH 7.0, 40% (v/v) Ethanol |