8JFV
Crystal structure of Catabolite repressor acivator from E. coli in complex with sulisobenzone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-28 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.973 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 43.043, 109.241, 122.957 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.080 - 3.050 |
| R-factor | 0.23645 |
| Rwork | 0.234 |
| R-free | 0.27746 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.765 |
| 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] | 43.080 | 3.260 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.056 | 0.395 |
| Rpim | 0.056 | 0.395 |
| Number of reflections | 11380 | 2037 |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 98.4 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.969 | 0.677 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | HEPES, MgCl2, PEG 4000 |
