3SRZ
Clostridium difficile toxin A (TcdA) glucolsyltransferase domain bound to UDP-glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0094 |
| Spacegroup name | P 65 |
| Unit cell lengths | 141.779, 141.779, 63.351 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.928 - 2.580 |
| R-factor | 0.1835 |
| Rwork | 0.177 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.087 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.057 | 0.546 |
| Number of reflections | 23039 | |
| <I/σ(I)> | 21.5 | 2.7 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 6.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 20% PEG6000, 0.1 M bicine, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
