6Y2Y
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with Trp51 to S-Trp51 and Trp191Phe modifications
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 | 2017-07-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9770 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.970, 74.100, 106.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.220 - 1.700 |
| R-factor | 0.1492 |
| Rwork | 0.147 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cyp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.900 |
| 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] | 43.220 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.064 | |
| Number of reflections | 45042 | 2618 |
| <I/σ(I)> | 19.36 | |
| Completeness [%] | 100.0 | |
| Redundancy | 5.9 | |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1 M HEPES pH 7.5 and 10% w/v PEG 8000 |
