1GN2
S123C mutant of the iron-superoxide dismutase from Mycobacterium tuberculosis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.080, 106.330, 76.100 |
| Unit cell angles | 90.00, 92.37, 90.00 |
Refinement procedure
| Resolution | 21.000 - 3.400 |
| R-factor | 0.249 * |
| Rwork | 0.249 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ids |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.027 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | CCP4 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 3.500 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.197 | 0.457 |
| Number of reflections | 15208 | |
| <I/σ(I)> | 3.5 | 1.6 |
| Completeness [%] | 67.5 | 67.7 |
| Redundancy | 1.7 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 4 * | 100MM TRIS-HCL PH 7.0, 25% PEG 6000, PROTEIN CONCENTRATION = 3 MG/ML. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.0 (mg/ml) | |
| 2 | 1 | reservoir | Tris | 100 (mM) | pH7.0 |
| 3 | 1 | reservoir | PEG6000 | 25 (%) |
