9HQE
Bacteroides fragilis xenosiderophore-binding lipoprotein XusB
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 | 2024-03-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.987, 86.925, 154.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.420 - 1.770 |
| R-factor | 0.2006 |
| Rwork | 0.199 |
| R-free | 0.23680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.793 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.420 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.102 | 1.289 |
| Number of reflections | 67890 | 3826 |
| <I/σ(I)> | 15.2 | 2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 13.4 | 13.9 |
| CC(1/2) | 0.999 | 0.799 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.02 M magnesium chloride hexadydrate, 0.1 M HEPES, 22% polyacrylic acid sodium salt 5,100 |
