9S4O
diFe-Sulerythin_wildtype_O2-reacted
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.900, 88.230, 100.240 |
| Unit cell angles | 90.00, 114.56, 90.00 |
Refinement procedure
| Resolution | 34.070 - 1.550 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.700 | 1.590 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 132125 | 9972 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 97.7 | |
| Redundancy | 6.88 | |
| CC(1/2) | 0.998 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M Bis-Tris pH 5.5 + 20-25% (w/v) polyethylene glycol 3350 |
