9DSE
Cyanide-ligated Bordetella pertussis globin coupled sensor regulatory domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.136, 49.237, 67.828 |
| Unit cell angles | 90.00, 110.48, 90.00 |
Refinement procedure
| Resolution | 46.340 - 2.080 |
| R-factor | 0.21372 |
| Rwork | 0.211 |
| R-free | 0.26039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.155 |
| 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] | 46.340 | 2.154 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rpim | 0.056 | 0.266 |
| Number of reflections | 27172 | 2692 |
| <I/σ(I)> | 22.2 | 2.3 |
| Completeness [%] | 99.5 | 99.41 |
| Redundancy | 3.7 | 2.9 |
| CC(1/2) | 0.913 | 0.840 |
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 |
