2G7C
Clostridium difficile Toxin A Fragment Bound to aGal(1,3)bGal(1,4)bGlcNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.115 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.682, 132.825, 65.917 |
| Unit cell angles | 90.00, 100.29, 90.00 |
Refinement procedure
| Resolution | 60.000 - 2.000 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f6e |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.380 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.047 | 0.203 |
| Number of reflections | 44075 | |
| <I/σ(I)> | 27.6 | 7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 6% PEG 3350, 0.1 M Bis-Tris-Cl pH 7.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
