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 |