6GSB
Sphingobacterium sp. T2 manganese superoxide dismutase catalyses the oxidative demethylation of polymeric lignin via generation of hydroxyl radical
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97948 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.680, 59.090, 75.210 |
| Unit cell angles | 90.00, 90.47, 90.00 |
Refinement procedure
| Resolution | 36.660 - 1.450 |
| R-factor | 0.15002 |
| Rwork | 0.149 |
| R-free | 0.16925 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5a9g |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.610 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | FFT |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.065 | 0.569 |
| Rmeas | 0.076 | |
| Rpim | 0.033 | |
| Number of reflections | 71340 | 5108 |
| <I/σ(I)> | 13.7 | 2.1 |
| Completeness [%] | 98.5 | 97.1 |
| Redundancy | 5.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 160 mM ammonium citrate dibasic, 26% PEG 3350 |
