4EO3
Peroxiredoxin Nitroreductase Fusion Enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2011-10-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.82656 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.500, 113.175, 121.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.896 - 1.649 |
| R-factor | 0.1792 |
| Rwork | 0.178 |
| R-free | 0.20660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.981 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.630 | |
| Number of reflections | 101195 | |
| <I/σ(I)> | 24 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100mM HEPES, 30% MPD, 5% PEG4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
