8FF7
Cytosolic ascorbate peroxidase mutant from Panicum virgatum- ascorbate complex
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 | 2022-03-31 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 78.267, 80.176, 80.166 |
Unit cell angles | 104.55, 101.97, 110.73 |
Refinement procedure
Resolution | 49.230 - 2.194 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.24240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8djr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.009 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.230 | 2.273 |
High resolution limit [Å] | 2.194 | 2.194 |
Rmerge | 0.127 | 1.540 |
Number of reflections | 83162 | 7756 |
<I/σ(I)> | 6.45 | |
Completeness [%] | 97.2 | 4.5 |
Redundancy | 2.5 | 7 |
CC(1/2) | 0.980 |
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 |