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 |