8JFF
Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-01 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.873 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 43.330, 108.900, 123.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.510 - 2.890 |
R-factor | 0.22678 |
Rwork | 0.224 |
R-free | 0.28270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.746 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.900 | 3.060 |
High resolution limit [Å] | 2.890 | 2.890 |
Rmerge | 0.046 | 0.341 |
Rpim | 0.046 | 0.341 |
Number of reflections | 12352 | 2133 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 90.1 | |
Redundancy | 1.8 | |
CC(1/2) | 0.997 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | HEPES, MgCl2, PEG 4000 |