8DJX
Cytosolic ascorbate peroxidase from Sorghum bicolor - Compound II
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) | 0.9774 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.070, 74.742, 82.972 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.490 - 1.340 |
R-factor | 0.1407 |
Rwork | 0.140 |
R-free | 0.14990 |
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] | 41.490 | 41.490 | 1.370 |
High resolution limit [Å] | 1.340 | 7.360 | 1.340 |
Rmerge | 0.065 | 0.048 | 0.430 |
Rmeas | 0.072 | 0.052 | 0.608 |
Rpim | 0.029 | 0.020 | 0.430 |
Total number of observations | 280527 | 2205 | 720 |
Number of reflections | 49922 | 395 | 653 |
<I/σ(I)> | 15.3 | 35.3 | 1.3 |
Completeness [%] | 93.1 | 98.5 | 25.4 |
Redundancy | 5.6 | 5.6 | 1.1 |
CC(1/2) | 0.999 | 0.998 | 0.593 |
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 |