6H2L
Receptor-binding domain of Proteus mirabilis Uroepithelial Cell Adhesin UcaD21-217
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-23 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 1 |
| Unit cell lengths | 30.473, 49.828, 61.833 |
| Unit cell angles | 86.45, 74.51, 75.52 |
Refinement procedure
| Resolution | 37.400 - 1.500 |
| R-factor | 0.2149 |
| Rwork | 0.214 |
| R-free | 0.23770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6h1x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.697 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.400 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.118 | 0.965 |
| Rmeas | 0.139 | 1.140 |
| Rpim | 0.072 | 0.597 |
| Number of reflections | 52581 | 5178 |
| <I/σ(I)> | 7.08 | 1.3 |
| Completeness [%] | 96.6 | 94.8 |
| Redundancy | 3.7 | 3.5 |
| CC(1/2) | 0.994 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 2 M ammonium sulphate, 0.1 M bis-Tris pH 5.5 |
