5ZE8
Crystal structure of a penta-heme cytochrome c552 from Thermochromatium tepidum
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 | 2016-12-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.700, 39.100, 68.650 |
| Unit cell angles | 90.00, 109.31, 90.00 |
Refinement procedure
| Resolution | 68.280 - 1.600 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.19080 |
| Structure solution method | SAD |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.261 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.280 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 48283 | 4756 |
| <I/σ(I)> | 25.02 | 5.16 |
| Completeness [%] | 99.9 | 99.66 |
| Redundancy | 12.9 | 10.7 |
| CC(1/2) | 0.999 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, calcium chloride, ammonium chloride |
