3CEI
Crystal Structure of Superoxide Dismutase from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 108.716, 108.716, 158.031 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.000 - 2.400 |
| Rwork | 0.201 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1isb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.112 | 0.395 |
| Number of reflections | 22256 | |
| <I/σ(I)> | 23.6 | 6.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.3 | 19.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 1.9M Ammonium sulfate, 0.1M Tris, PH8.0, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K |
