3BE6
Crystal structure of FitE (crystal form 2), a group III periplasmic siderophore binding protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.10000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.815, 109.120, 221.992 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.450 - 1.820 |
| R-factor | 0.18975 |
| Rwork | 0.188 |
| R-free | 0.21851 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3be5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.046 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 102274 | |
| <I/σ(I)> | 13.7 | 4.1 |
| Completeness [%] | 63.7 | |
| Redundancy | 4.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 294 | 0.1M Tris-HCl pH 7.5, 0.2M MgCl2, 22% (w/v) PEG 3350, VAPOR DIFFUSION, temperature 294K |
