5OAH
THE PERIPLASMIC BINDING PROTEIN CEUE OF CAMPYLOBACTER JEJUNI BINDS THE IRON(III) COMPLEX OF Azotochelin
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 | 2016-01-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.139, 63.410, 67.674 |
| Unit cell angles | 82.71, 76.36, 79.03 |
Refinement procedure
| Resolution | 65.520 - 1.800 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zkw |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.959 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.520 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.055 | 0.390 |
| Number of reflections | 84430 | |
| <I/σ(I)> | 13.3 | 1 |
| Completeness [%] | 99.1 | 97.9 |
| Redundancy | 1.8 | 5.3 |
| CC(1/2) | 0.998 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 291 | 0.2M NaF 20% PEG3350 Fe-Azotochelin stock solution |
