8DX4
Clostridioides difficile R20291 minor pilin - PilW fused with Maltose Binding Protein
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] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.326, 81.796, 102.964 |
| Unit cell angles | 92.44, 90.95, 113.37 |
Refinement procedure
| Resolution | 39.735 - 2.487 |
| R-factor | 0.1879 |
| Rwork | 0.186 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tsm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.775 |
| Data reduction software | autoXDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 102.800 | 102.800 | 2.540 |
| High resolution limit [Å] | 2.480 | 11.370 | 2.480 |
| Rmerge | 0.080 | 0.038 | 0.272 |
| Rmeas | 0.101 | 0.049 | 0.343 |
| Rpim | 0.060 | 0.029 | 0.207 |
| Total number of observations | 150043 | 1704 | 10852 |
| Number of reflections | 64470 | 676 | 4447 |
| <I/σ(I)> | 6.8 | 14.1 | 2.5 |
| Completeness [%] | 93.3 | 94.2 | 91.4 |
| Redundancy | 2.3 | 2.5 | 2.4 |
| CC(1/2) | 0.993 | 0.997 | 0.901 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | Hepes, Cesium Chloride, PEG 3350, n-Octyl-beta-D-glucoside, Sodium Chloride, ethanol |
