4JYY
Crystal structure of the azide and iron substituted Clostrium difficile SOD2 complex
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 | 2012-01-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.375, 80.375, 250.532 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.187 - 2.101 |
| R-factor | 0.1831 |
| Rwork | 0.182 |
| R-free | 0.19770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tjt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.976 |
| 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] | 40.200 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.083 | 0.703 |
| Number of reflections | 28940 | |
| <I/σ(I)> | 69.6 | 9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 41.9 | 43.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 60% (v/v) tacsimateTM, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
