9HEH
Structure of the ligand binding domain of the chemoreceptor MkcA (DSOMK10_RS0100305) of Dickeya solani MK10 in complex with choline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.714, 67.185, 53.824 |
| Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
| Resolution | 53.350 - 1.500 |
| R-factor | 0.1753 |
| Rwork | 0.174 |
| R-free | 0.20160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.907 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.180 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.099 | 1.658 |
| Rmeas | 0.107 | 1.795 |
| Rpim | 0.041 | 0.682 |
| Total number of observations | 317463 | 15953 |
| Number of reflections | 47135 | 2329 |
| <I/σ(I)> | 11.2 | 1.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | 6.8 |
| CC(1/2) | 0.999 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Tris hydrochloride pH 8.5, 30% w/v PEG 4K |
