1IXB
CRYSTAL STRUCTURE OF THE E. COLI MANGANESE(II) SUPEROXIDE DISMUTASE MUTANT Y174F AT 0.90 ANGSTROMS RESOLUTION.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.815, 45.832, 96.187 |
| Unit cell angles | 90.00, 98.20, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.900 |
| R-factor | 0.1109 |
| Rwork | 0.111 |
| R-free | 0.12640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MN-SOD FROM 1IOH |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.910 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.030 | 0.395 |
| Number of reflections | 274173 | |
| <I/σ(I)> | 56.8 | 2.6 |
| Completeness [%] | 92.1 | 81.7 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 16-20% PEG6000, 0.1M BICINE. CRYSTALS WERE REDUCED JUST PRIOR TO FREEZING BY ADDITION OF 10% H2O2 (1 PART to 40 PARTS MOTHER LIQUOR), pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
