6I3G
Crystal structure of a putative peptide binding protein AppA 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 | 2016-07-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.525, 106.094, 109.515 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.820 - 2.000 |
| R-factor | 0.20822 |
| Rwork | 0.205 |
| R-free | 0.26455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.457 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.820 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | |
| Rmeas | 0.102 | |
| Number of reflections | 36759 | |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.8 | |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M sodium iodide, 0.1 M Bis-Tris propane, 20% PEG 3350, pH 6.5 |
