6GCV
Ligand binding domain (LBD) of the p. aeruginosa nitrate receptor McpN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9724 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.777, 87.949, 52.896 |
| Unit cell angles | 90.00, 93.05, 90.00 |
Refinement procedure
| Resolution | 46.320 - 1.300 |
| R-factor | 0.12673 |
| Rwork | 0.125 |
| R-free | 0.15325 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | Arcimboldo |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.320 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.032 | 0.374 |
| Rmeas | 0.039 | 0.466 |
| Rpim | 0.023 | 0.275 |
| Number of reflections | 88758 | 9541 |
| <I/σ(I)> | 14.98 | 2.38 |
| Completeness [%] | 85.4 | 92.43 |
| Redundancy | 2.7 | 2.7 |
| CC(1/2) | 0.999 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7.5 | 293 | Capillary counterdiffusion method: C23: 0.82 M K-phosphate, 0.82 M Na-phosphate, 0.1 M Na-Hepes pH 7.50 |
