8AVL
Superoxide dismutase SodFM2 from Bacteroides fragilis
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 | 2021-09-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.89843 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.130, 100.110, 103.600 |
| Unit cell angles | 90.00, 91.80, 90.00 |
Refinement procedure
| Resolution | 103.549 - 1.600 |
| Rwork | 0.133 |
| R-free | 0.20380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ues |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.485 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 103.550 | 103.550 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Number of reflections | 190799 | 1224 | 9403 |
| <I/σ(I)> | 12 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 7 | 6.6 | 7.2 |
| CC(1/2) | 0.998 | 0.990 | 0.548 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 200 mM sodium chloride, 100 mM Tris pH 8.5 and 25 % w/v polyethylene glycol 3350. |
