21ZE
Crystal structure of the petrobactin-binding protein FatB from Bacillus cereus complexed with ferric petrobactin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.684, 67.990, 50.631 |
| Unit cell angles | 90.00, 92.11, 90.00 |
Refinement procedure
| Resolution | 40.590 - 1.780 |
| R-factor | 0.1711 |
| Rwork | 0.169 |
| R-free | 0.21730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.008 |
| Data reduction software | HKL-2000 (v722) |
| Data scaling software | HKL-2000 (v722) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.590 | 1.849 |
| High resolution limit [Å] | 1.780 | 1.785 |
| Number of reflections | 25529 | 2448 |
| <I/σ(I)> | 41.1 | 11.12 |
| Completeness [%] | 98.0 | |
| Redundancy | 21.2 | |
| CC(1/2) | 0.825 | 0.903 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10% (v/v) 2-propanol, 0.1 M BICINE, pH 8.5, 36% (w/v) PEG 1000 |
