4CI7
The crystal structure of the cysteine protease and lectin-like domains of Cwp84, a surface layer associated protein of Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795, 0.9793, 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.910, 73.490, 125.630 |
| Unit cell angles | 90.00, 93.57, 90.00 |
Refinement procedure
| Resolution | 125.390 - 1.400 |
| R-factor | 0.1397 |
| Rwork | 0.138 |
| R-free | 0.16909 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.340 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.150 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.099 | 0.258 |
| Number of reflections | 170213 | |
| <I/σ(I)> | 16 | 4.2 |
| Completeness [%] | 93.9 | 65.3 |
| Redundancy | 4.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.2 M AMMONIUM SULPHATE, 30% (V/V) PEG 4000, PH 8.0 | ||
| 1 | 8 | 0.2 M AMMONIUM SULPHATE, 30% (V/V) PEG 4000, PH 8.0 |
