9DSF
Cyanide-ligated Bordetella pertussis globin coupled sensor regulatory domain S68A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.958, 49.702, 67.994 |
| Unit cell angles | 90.00, 110.56, 90.00 |
Refinement procedure
| Resolution | 46.670 - 1.850 |
| R-factor | 0.20855 |
| Rwork | 0.207 |
| R-free | 0.23862 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.141 |
| Data reduction software | HKL-2000 (722) |
| Data scaling software | HKL-2000 (722) |
| Phasing software | PHASER (7.1.018) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.670 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.026 | 0.210 |
| Number of reflections | 38802 | 3885 |
| <I/σ(I)> | 21.1 | 2 |
| Completeness [%] | 99.5 | 99.64 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.992 | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294.15 | 10 mM Tris, 0.2 M Calcium Acetate, 10% w/v PEG 3350 |
