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 |