6HNI
The ligand-bound, closed structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.107, 42.351, 56.175 |
| Unit cell angles | 90.00, 94.76, 90.00 |
Refinement procedure
| Resolution | 55.980 - 1.350 |
| R-factor | 0.14962 |
| Rwork | 0.148 |
| R-free | 0.18547 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lkv |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.802 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.980 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.297 | 6.455 |
| Rmeas | 0.309 | 6.880 |
| Rpim | 0.086 | 2.319 |
| Number of reflections | 67816 | 3424 |
| <I/σ(I)> | 9.7 | 1.7 |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 25 | 17 |
| CC(1/2) | 0.997 | 0.327 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M sodium HEPES pH 7.5, 20% (w/v) PEG 10,000 |
