9Q1V
Crystal Structure of de novo design FimH minibinder F7 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-25 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.967, 52.387, 72.865 |
| Unit cell angles | 90.00, 101.80, 90.00 |
Refinement procedure
| Resolution | 42.220 - 1.750 |
| R-factor | 0.2343 |
| Rwork | 0.233 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.650 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.220 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.167 | 0.871 |
| Rpim | 0.072 | 0.397 |
| Number of reflections | 34397 | 2003 |
| <I/σ(I)> | 5.7 | 1.8 |
| Completeness [%] | 90.3 | 96.1 |
| Redundancy | 6.9 | 6.6 |
| CC(1/2) | 0.995 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M sodium malonate, pH 7.0, 20% w/v PEG3350 |
