9EX3
Ferric-mycobactin receptor (FemA) in complex with dihydroaeruginoic acid
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 | 2023-10-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99992 |
| Spacegroup name | P 1 |
| Unit cell lengths | 84.939, 86.308, 88.287 |
| Unit cell angles | 90.01, 61.63, 66.33 |
Refinement procedure
| Resolution | 44.070 - 2.150 |
| R-factor | 0.2296 |
| Rwork | 0.229 |
| R-free | 0.26370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.942 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.630 | 2.180 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.142 | 0.782 |
| Number of reflections | 103043 | 3006 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 96.1 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.985 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | Mes, magnesium acetate, Peg 4000 |
