6QVM
Undecaheme cytochrome from S-layer of Carboxydothermus ferrireducens
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.90000, 1.73950 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.679, 193.980, 170.779 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.433 - 2.500 |
| R-factor | 0.1792 |
| Rwork | 0.178 |
| R-free | 0.21040 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.979 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.13) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.886 | |
| Rmeas | 0.923 | |
| Rpim | 0.256 | |
| Number of reflections | 45039 | 4370 |
| <I/σ(I)> | 13.2 | 3.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 12 | 12.7 |
| CC(1/2) | 0.998 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 8 % PEG 8000, 0.1 M Tris-HCl pH 8.5 |
