21ZD
Crystal structure of the petrobactin-binding protein FatB from Bacillus cereus in the apo-form
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 | 2025-02-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.425, 57.796, 100.934 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.010 - 1.910 |
| R-factor | 0.2194 |
| Rwork | 0.215 |
| R-free | 0.25780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.604 |
| 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] | 38.010 | 1.978 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Number of reflections | 16974 | 1430 |
| <I/σ(I)> | 13.47 | 2.18 |
| Completeness [%] | 94.9 | 85.58 |
| Redundancy | 5.5 | |
| CC(1/2) | 0.968 | 0.294 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.15M Potassium thiocyanate, 30% (w/v) PEG monomethyl ether 2000 |
