9ONL
FosB from Enterococcus faecium in complex with phosphonoacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 2025-03-05 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.789, 83.789, 103.807 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.970 - 2.500 |
| R-factor | 0.2286 |
| Rwork | 0.226 |
| R-free | 0.25480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.652 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.970 | 2.750 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 25547 | 6234 |
| <I/σ(I)> | 6.62 | |
| Completeness [%] | 99.8 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.973 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 400, magnesium chloride, ammonium sulfate |
