8DJW
Cytosolic ascorbate peroxidase from Sorghum bicolor - hydroperoxo complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-05-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.195, 74.965, 83.102 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.550 - 1.800 |
R-factor | 0.1528 |
Rwork | 0.150 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oag |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.550 | 41.550 | 1.650 |
High resolution limit [Å] | 1.620 | 8.870 | 1.620 |
Rmerge | 0.242 | 0.039 | 2.782 |
Rmeas | 0.261 | 0.043 | 3.001 |
Rpim | 0.098 | 0.017 | 1.119 |
Total number of observations | 220424 | 1382 | 10882 |
Number of reflections | 31170 | 245 | 1520 |
<I/σ(I)> | 7.3 | 25.3 | 0.7 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 7.1 | 5.6 | 7.2 |
CC(1/2) | 0.994 | 0.999 | 0.224 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M Li2SO4, 0.1 M Tris, pH 8.5 and 30 % PEG 4000 |