7O91
diMn-sulerythrin
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 | 2016-11-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.620, 87.480, 59.757 |
| Unit cell angles | 90.00, 115.04, 90.00 |
Refinement procedure
| Resolution | 43.740 - 1.100 |
| R-factor | 0.13644 |
| Rwork | 0.136 |
| R-free | 0.16365 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j30 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.869 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 1.140 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 185980 | 16306 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 97.3 | |
| Redundancy | 6.57 | |
| CC(1/2) | 0.999 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M Bis-Tris (pH 5.5) and 20-25% (w/v) PEG3350 |
