9AT9
Crystal structure of Klebsiella pneumoniae FimH lectin domain bound to D-mannose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2022-03-27 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.072156 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.539, 40.626, 101.043 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.190 - 1.340 |
| R-factor | 0.2161 |
| Rwork | 0.215 |
| R-free | 0.23240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.038 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (v1.20.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.190 | 1.388 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.036 | |
| Number of reflections | 35168 | 3188 |
| <I/σ(I)> | 12.92 | |
| Completeness [%] | 98.9 | |
| Redundancy | 2 | |
| CC(1/2) | 0.999 | 0.483 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292.15 | Protein mixed with 10:1 molar ratio of D-mannose to protein. Crystals grown in 0.4 M MgCl2, 2.0 M NaCl, 0.1 M Tris pH 7 |
