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 |