6Y1T
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification
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 | 2017-07-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.848, 75.191, 106.981 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.470 - 1.500 |
| R-factor | 0.1489 |
| Rwork | 0.147 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cyp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.017 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.190 | 1.520 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.527 | |
| Rmeas | 0.093 | |
| Number of reflections | 65800 | 2251 |
| <I/σ(I)> | 9.07 | |
| Completeness [%] | 99.0 | |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 60 mM magnesium chloride hexahydrate, 60 mM calcuim chloride dihydrate, 0.1 M imidazole, 0.1 M MES pH 6.5, 20% v/v ethylene glycol and 10% w/v PEG 8000 |
