5TCY
A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with CeuE (H227L variant), a periplasmic protein from Campylobacter jejuni.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.696, 62.881, 69.867 |
| Unit cell angles | 82.09, 74.67, 77.60 |
Refinement procedure
| Resolution | 67.130 - 1.900 |
| R-factor | 0.17355 |
| Rwork | 0.171 |
| R-free | 0.21499 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zkw |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.850 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.130 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.102 | 0.956 |
| Number of reflections | 70811 | |
| <I/σ(I)> | 6.2 | 1.3 |
| Completeness [%] | 95.9 | 96 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.991 | 0.418 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1M PCB buffer, pH 8, 25% PEG 1500 +cryo 33% PEG 1500 in well solution |
