9GCY
Xenosiderophore-binding lipoprotein XusB from Bacteroides thetaiotaomicron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.705, 108.633, 93.894 |
| Unit cell angles | 90.00, 96.57, 90.00 |
Refinement procedure
| Resolution | 46.940 - 1.560 |
| R-factor | 0.1773 |
| Rwork | 0.176 |
| R-free | 0.20680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.994 |
| Data reduction software | HKL-3000 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.320 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rpim | 0.039 | 0.652 |
| Number of reflections | 129093 | 6316 |
| <I/σ(I)> | 11 | 1.2 |
| Completeness [%] | 100.0 | 99.5 |
| Redundancy | 6.8 | 5.3 |
| CC(1/2) | 0.998 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2M calcium chloride, 0.1M MES pH 6.0, 20% PEG 6000 |
