5AD1
A complex of the synthetic siderophore analogue Fe(III)-8-LICAM with the CeuE periplasmic protein from Campylobacter jejuni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.980, 55.980, 140.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.980 - 1.320 |
| R-factor | 0.14195 |
| Rwork | 0.140 |
| R-free | 0.18056 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a5v |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.960 |
| Data reduction software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.980 | 1.350 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.080 | 0.850 |
| Number of reflections | 77761 | |
| <I/σ(I)> | 11 | 1.3 |
| Completeness [%] | 96.6 | 76 |
| Redundancy | 5.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2M SODIUM FORMATE, 0.1M BTP BUFFER, PH 8.5, 20% PEG 3350. |
