2ZCT
Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.118, 103.053, 104.445 |
| Unit cell angles | 105.80, 105.30, 92.68 |
Refinement procedure
| Resolution | 19.960 - 1.700 |
| R-factor | 0.19187 |
| Rwork | 0.190 |
| R-free | 0.22118 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.458 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 | 0.406 |
| Number of reflections | 291896 | |
| <I/σ(I)> | 9.4 | 1.28 |
| Completeness [%] | 62.8 | |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | ||||
| 1 |
