6E4V
The Crystal Structure of FhuE from E. coli in complex with its substrate Coprogen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.190, 103.860, 118.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.570 - 2.000 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3efm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.550 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.592 | 3.980 |
| Rpim | 0.109 | 0.813 |
| Number of reflections | 57586 | 4121 |
| <I/σ(I)> | 4.6 | 0.6 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 30.5 | 26.1 |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 0.1 M PCB 4 pH, 25 %w/v PEG 1500 |
