7O9C
diNi-sulerythrin treated by hydrogen perxoide
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 | P 63 |
| Unit cell lengths | 72.991, 72.991, 99.199 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.300 - 1.600 |
| R-factor | 0.1495 |
| Rwork | 0.148 |
| R-free | 0.18120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j30 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.026 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.020 | 1.650 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 39539 | 3784 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 99.4 | |
| Redundancy | 9.89 | |
| CC(1/2) | 0.999 | 0.808 |
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 |
