5DCO
R2-like ligand-binding oxidase with aerobically reconstituted diiron cofactor (short soak)
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 | 55.629, 96.695, 128.342 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.219 - 2.326 |
| R-factor | 0.1607 |
| Rwork | 0.157 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hr0 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.394 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.470 |
| High resolution limit [Å] | 2.326 | 2.326 |
| Rmerge | 0.086 | 0.704 |
| Number of reflections | 15093 | |
| <I/σ(I)> | 11.64 | 1.9 |
| Completeness [%] | 98.8 | 95.3 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 22.5% (w/v) PEG1500, 0.1 M HEPES-Na pH 7.0 |
