5DCS
R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (long 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) | 1.00 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.058, 97.419, 129.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.906 - 2.006 |
| R-factor | 0.1716 |
| Rwork | 0.169 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hr0 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.216 |
| 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 | 2.130 |
| High resolution limit [Å] | 2.006 | 2.006 |
| Rmerge | 0.155 | 0.409 |
| Number of reflections | 23996 | |
| <I/σ(I)> | 5.35 | 1.7 |
| Completeness [%] | 99.3 | 99.2 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 22.5% (w/v) PEG 1500, 0.1 M HEPES-Na pH 7.0 |
