8RGS
Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2023-10-04 |
| Detector | DECTRIS EIGER2 X 4M |
| Wavelength(s) | 0.775 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.474, 67.765, 74.733 |
| Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
| Resolution | 69.770 - 1.790 |
| R-factor | 0.1898 |
| Rwork | 0.189 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.053 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.770 | 1.854 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Number of reflections | 65821 | 6543 |
| <I/σ(I)> | 21.8 | |
| Completeness [%] | 99.8 | |
| Redundancy | 98.9 | |
| CC(1/2) | 0.990 | 0.315 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 291 | 1:3 v/v ratio of 10 mg/ml protein in 20 mM sodium phosphate, 150 mM NaCl, pH 7.0 and a mother liquor solution (12% v/v PEG 3350, 100 mM HEPES pH 7.0) |
