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 |