9FVQ
Ferric-mycobactin receptor (FemA) in complex with pyochelin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 |
| Unit cell lengths | 83.836, 84.662, 86.965 |
| Unit cell angles | 89.96, 118.67, 113.58 |
Refinement procedure
| Resolution | 66.720 - 2.031 |
| Rwork | 0.182 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.273 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.720 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.149 | |
| Number of reflections | 116549 | 4548 |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 96.6 | 74.9 |
| Redundancy | 3.36 | |
| CC(1/2) | 0.982 | 0.721 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | PEG 4000, Magnesium acetate MES pH 6 |
