9BHZ
Structure of FbsH, an NRPS adenylation domain in the fimsbactin biosynthetic pathway bound to Salicyl-AMS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2023-03-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03373 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.329, 74.170, 75.557 |
| Unit cell angles | 85.05, 69.91, 70.09 |
Refinement procedure
| Resolution | 35.580 - 2.220 |
| R-factor | 0.1991 |
| Rwork | 0.198 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.898 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.580 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.187 | 1.183 |
| Rmeas | 0.223 | |
| Rpim | 0.120 | 0.765 |
| Number of reflections | 52019 | 5132 |
| <I/σ(I)> | 9.9 | 1.19 |
| Completeness [%] | 98.0 | 96.05 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.968 | 0.714 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287 | 15% PEG 3350, 0.1 M HEPES pH 7.5, 0.6 mM Salicyl-AMS |
