6H08
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.920, 106.770, 163.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.860 - 1.900 |
| R-factor | 0.1796 |
| Rwork | 0.178 |
| R-free | 0.20540 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.222 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.860 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.392 |
| Rmeas | 0.057 | 0.425 |
| Rpim | 0.022 | 0.163 |
| Number of reflections | 100412 | 4877 |
| <I/σ(I)> | 19.2 | 4.3 |
| Completeness [%] | 99.1 | 97.15 |
| Redundancy | 6.6 | 6.5 |
| CC(1/2) | 0.999 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 5 mM cobalt(II) chloride hexahydrate, 5 mM cadmium chloride hemi(pentahydrate), 5 mM magnesium chloride hexahydrate, 5 mM nickel(II) chloride hexahydrate, 0.1 M HEPES pH 7.5 and 12% w/v PEG 3350 |
