6HNK
The ligand-free, open 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 I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.394, 62.254, 146.102 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.050 - 2.500 |
| R-factor | 0.25505 |
| Rwork | 0.251 |
| R-free | 0.31012 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hni |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.280 |
| 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] | 146.100 | 2.610 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.158 | 0.673 |
| Rmeas | 0.177 | 0.796 |
| Rpim | 0.079 | 0.344 |
| Number of reflections | 12793 | 1285 |
| <I/σ(I)> | 6.2 | 1.9 |
| Completeness [%] | 95.9 | 80.2 |
| Redundancy | 8 | 7.7 |
| CC(1/2) | 0.998 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M potassium chloride, 7.5% PEG 6000, 7.5% PEG 8,000, 7.5% PEG 10,000 |
