6RGI
Partially unfolded cytochrome c in complex with sulfonatocalix[6]arene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-31 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9810 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 74.762, 74.762, 60.033 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.020 - 2.640 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lyc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.020 | 2.940 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.092 | 1.460 |
| Rmeas | 0.094 | 1.550 |
| Rpim | 0.022 | 0.482 |
| Number of reflections | 3582 | 200 |
| <I/σ(I)> | 1.3 | |
| Completeness [%] | 91.0 | |
| Redundancy | 17.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 11 % PEG 8000, 0.1 M imidazole, 2 mM sulfonato-calix[6]arene |
