4XB9
R2-like ligand-binding oxidase with aerobically reconstituted diiron cofactor
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 | 2012-05-03 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.044, 97.053, 129.742 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.533 - 1.798 |
| R-factor | 0.1664 |
| Rwork | 0.165 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hr0 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.264 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX ((phenix.refine: dev_1606)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.798 | 1.798 |
| Rmerge | 0.038 | 0.660 |
| Number of reflections | 33183 | |
| <I/σ(I)> | 18.94 | 2.14 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 20% (w/v) PEG1500, 0.1 M HEPES-Na, pH 7.0 |
