3ZVJ
Crystal structure of high molecular weight (HMW) form of Peroxiredoxin I from Schistosoma mansoni
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 | 2010-07-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 126.911, 204.940, 126.845 |
| Unit cell angles | 90.00, 114.60, 90.00 |
Refinement procedure
| Resolution | 29.857 - 3.000 |
| R-factor | 0.2328 |
| Rwork | 0.219 |
| R-free | 0.26950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ztl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.994 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.860 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.240 | 0.400 |
| Number of reflections | 112406 | |
| <I/σ(I)> | 6.14 | 2.85 |
| Completeness [%] | 95.7 | 91.6 |
| Redundancy | 3.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 20% PEG 8000, 0.2M SODIUM CHLORIDE, 0.1M PHOSPHATE-CITRATE, PH 4.2 |
