7SF6
Crystal Structure of Siderophore Binding Protein FatB from Desulfitobacterium hafniense
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-04 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97891 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 78.884, 78.884, 122.402 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.830 - 1.460 |
| R-factor | 0.1382 |
| Rwork | 0.137 |
| R-free | 0.16110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | swissmodel |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.245 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.490 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.109 | 0.968 |
| Number of reflections | 76947 | 3778 |
| <I/σ(I)> | 33.9 | 1.75 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.3 | 11.2 |
| CC(1/2) | 0.994 | 0.759 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 297 | 0.1M Bis-Tris propane pH 7.8, 2.5M ammonium sulfate |
