9BHY
Structure of FbsH, an NRPS adenylation domain in the fimsbactin biosynthetic pathway bound to 2,3-dihydroxybenzoic acid.
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] | 93.15 |
| Detector technology | PIXEL |
| Collection date | 2023-03-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03373 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.410, 74.478, 75.493 |
| Unit cell angles | 85.04, 69.89, 70.29 |
Refinement procedure
| Resolution | 35.620 - 2.300 |
| R-factor | 0.1943 |
| Rwork | 0.193 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.631 |
| 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] | 35.620 | 2.382 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.128 | 0.919 |
| Rmeas | 0.152 | 1.000 |
| Rpim | 0.081 | 0.566 |
| Number of reflections | 47445 | 4701 |
| <I/σ(I)> | 10.32 | 1.42 |
| Completeness [%] | 98.3 | 97.14 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.990 | 0.440 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287.15 | 0.1M HEPES pH 7.5, 12% PEG 3350, 0.5 mM DHB, 0.5 mM AMP |
