8IQ1
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-27 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.126, 69.961, 91.345 |
| Unit cell angles | 98.69, 94.83, 103.31 |
Refinement procedure
| Resolution | 38.280 - 1.800 |
| R-factor | 0.1853 |
| Rwork | 0.184 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.012 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 | 0.546 |
| Number of reflections | 100956 | 4846 |
| <I/σ(I)> | 99.5 | |
| Completeness [%] | 95.5 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.992 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25% PEG 4000, 150 mM amimonium sulfate and 100 mM MES, pH 5.5 |
