9BDZ
TA-centric NF-kappaB RelA binding DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-11-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 46.078, 46.233, 98.646 |
Unit cell angles | 89.90, 89.86, 60.10 |
Refinement procedure
Resolution | 30.000 - 3.000 |
R-factor | 0.26197 |
Rwork | 0.258 |
R-free | 0.33907 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.818 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.110 | 0.625 |
Number of reflections | 12092 | 1100 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 88.9 | 94.4 |
Redundancy | 2.6 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350 8%, Sodium Acetate pH 3.5 100 mM, 50 mM Zinc Acetate |