5O7O
The crystal structure of DfoC, the desferrioxamine biosynthetic pathway acetyltransferase/Non-Ribosomal Peptide Synthetase (NRPS)-Independent Siderophore (NIS) from the fire blight disease pathogen Erwinia amylovora
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 | 2015-07-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.170, 156.350, 93.810 |
| Unit cell angles | 90.00, 95.57, 90.00 |
Refinement procedure
| Resolution | 78.180 - 2.110 |
| R-factor | 0.2227 |
| Rwork | 0.221 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x0o |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.679 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.180 | 2.165 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmeas | 0.040 | |
| Number of reflections | 123387 | 9132 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 99.8 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.1 M TRIS-HCl, 0.2 M MgCl2, 0.06 M Ammonium citrate, 10% PEG 8K |
