4DVH
Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.170, 74.550, 56.850 |
| Unit cell angles | 90.00, 96.81, 90.00 |
Refinement procedure
| Resolution | 24.170 - 2.230 |
| R-factor | 0.172 |
| Rwork | 0.168 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nyb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.640 | 39.641 | 2.330 |
| High resolution limit [Å] | 2.230 | 7.000 | 2.210 |
| Rmerge | 0.039 | 0.351 | |
| Number of reflections | 18138 | ||
| <I/σ(I)> | 13.4 | 15.4 | 2.1 |
| Completeness [%] | 93.1 | 97.6 | 73.6 |
| Redundancy | 6.5 | 6.7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 291 | 30% PEG 4000, 0.1M Tris.HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
