5OQ3
High resolution structure of the functional region of Cwp19 from 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 | 2016-05-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.016, 65.639, 104.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.510 - 1.350 |
| R-factor | 0.14958 |
| Rwork | 0.149 |
| R-free | 0.17415 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oq2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.534 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.640 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.118 | 0.674 |
| Rmeas | 0.123 | 0.704 |
| Rpim | 0.033 | 0.200 |
| Number of reflections | 93318 | 4543 |
| <I/σ(I)> | 15.4 | 3.7 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 25.5 | 23.7 |
| CC(1/2) | 0.999 | 0.982 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 90% (10 mM monobasic potassium phosphate, 18% PEG 8,000) 10% (20 mM D-glucose, 20 mM D-mannose, 20 mM D-galactose, 20 mM L-fucose, 20 mM D-xylose, 20 mM N-acetyl-D-glucosamine |
