5DCR
R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (short soak)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.190, 97.339, 129.764 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.664 - 2.108 |
| R-factor | 0.1677 |
| Rwork | 0.165 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hro |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.332 |
| 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 | 2.240 |
| High resolution limit [Å] | 2.108 | 2.108 |
| Rmerge | 0.100 | 0.446 |
| Number of reflections | 20697 | |
| <I/σ(I)> | 7.29 | 1.76 |
| Completeness [%] | 98.7 | 97.2 |
| Redundancy | 3.7 | 3.7 |
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 |
