8FF6
Cytosolic ascorbate peroxidase mutant from Panicum virgatum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-24 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.558, 79.984, 80.147 |
| Unit cell angles | 104.33, 111.17, 101.78 |
Refinement procedure
| Resolution | 49.360 - 2.490 |
| R-factor | 0.1902 |
| Rwork | 0.188 |
| R-free | 0.26240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8djr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.490 | 6.780 | 2.500 |
| Rmerge | 0.973 | 0.087 | 0.438 |
| Number of reflections | 56220 | 5694 | 4582 |
| <I/σ(I)> | 4.7 | ||
| Completeness [%] | 94.7 | 98.6 | 80.8 |
| Redundancy | 1.7 | 1.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2M Li2SO4, 0.1 M Tris, pH 8.5 and 30 % PEG 4000 |
