8YTS
The structure of the cytochrome c546/556 from Thioalkalivibrio paradoxus with unusual UV-Vis spectral features at atomic resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.416, 37.601, 97.117 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.560 - 1.150 |
| R-factor | 0.11552 |
| Rwork | 0.114 |
| R-free | 0.14417 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.629 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.560 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.037 | 0.174 |
| Rmeas | 0.043 | 0.206 |
| Rpim | 0.022 | 0.108 |
| Total number of observations | 165902 | 7250 |
| Number of reflections | 47379 | 2270 |
| <I/σ(I)> | 13.1 | 1.9 |
| Completeness [%] | 98.5 | |
| Redundancy | 3.5 | 3.2 |
| CC(1/2) | 0.999 | 0.922 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 288 | 0.1 M Citric acid, pH 3.5, 30% PEG 3350 |
