3ZL5
Crystal structure of Schistosoma mansoni Peroxiredoxin I C48S mutant with one decamer in the ASU
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 114.440, 94.985, 114.417 |
| Unit cell angles | 90.00, 108.51, 90.00 |
Refinement procedure
| Resolution | 29.434 - 2.493 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ztl |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.984 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | COMO |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 108.500 | 2.630 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.130 | 0.520 |
| Number of reflections | 81267 | |
| <I/σ(I)> | 10.91 | 2.65 |
| Completeness [%] | 99.3 | 96.7 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200MM NA2SO4, 20% PEG 3350 |
