9S5D
diFe-Sulerythin_E53D:E126D 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 | 2019-02-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.510, 87.930, 60.150 |
| Unit cell angles | 90.00, 115.11, 90.00 |
Refinement procedure
| Resolution | 45.510 - 1.700 |
| R-factor | 0.1787 |
| Rwork | 0.176 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.968 |
| 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] | 45.760 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 50392 | 3766 |
| <I/σ(I)> | 14.45 | |
| Completeness [%] | 96.6 | |
| Redundancy | 3.36 | |
| CC(1/2) | 0.999 | 0.840 |
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 |
