9GBB
Ferric-mycobactin receptor (FemA) in complex with Bis-AA
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 | 2023-11-10 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.99990 |
| Spacegroup name | P 1 |
| Unit cell lengths | 85.120, 86.732, 88.498 |
| Unit cell angles | 89.96, 61.66, 66.22 |
Refinement procedure
| Resolution | 46.650 - 2.600 |
| R-factor | 0.2172 |
| Rwork | 0.215 |
| R-free | 0.27980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.997 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.150 | 2.580 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Number of reflections | 64728 | 2827 |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 98.1 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.960 | 0.302 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | PEG 4000, Mes pH 6, sodium acetate |
