8DIK
Redox properties and PAS domain structure of the E. coli Energy Sensor Aer indicate a multi-state sensing mechanism
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.968 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 24.592, 62.947, 78.013 |
Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
Resolution | 48.989 - 2.400 |
R-factor | 0.2612 |
Rwork | 0.254 |
R-free | 0.27560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold Prediction with FAD coordinates from 2GJ3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.523 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.990 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.168 | |
Number of reflections | 9349 | 420 |
<I/σ(I)> | 11 | |
Completeness [%] | 99.4 | |
Redundancy | 6.4 | |
CC(1/2) | 0.976 | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 50% (w/v) PEG-3000, 100 mM Tris pH 7.00, 150 mM NaCl, 20% Glycerol |