9BE0
GC-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] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 |
Unit cell lengths | 46.857, 46.850, 99.289 |
Unit cell angles | 90.14, 90.20, 60.02 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.28876 |
Rwork | 0.288 |
R-free | 0.29748 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.947 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.570 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.062 | 0.400 |
Number of reflections | 23456 | 1431 |
<I/σ(I)> | 17 | 2.2 |
Completeness [%] | 90.8 | 73.8 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350 8%, Sodium Acetate pH 3.5 100 mM, Zinc Acetate 50 mM |