3TJT
Crystal Structure Analysis of the superoxide dismutase from Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.399, 80.399, 251.631 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.787 - 1.801 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rcv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.979 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.790 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.360 | |
| Number of reflections | 42617 | |
| <I/σ(I)> | 22.9 | 12.6 |
| Completeness [%] | 93.4 | 100 |
| Redundancy | 20 | 21.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 289 | 0.2M sodium citrate dihydrogen, 20% PEG 3350, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
