8DJU
Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.190, 75.303, 83.385 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.650 - 1.500 |
R-factor | 0.1341 |
Rwork | 0.133 |
R-free | 0.15310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oag |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.190 | 38.190 | 1.320 |
High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
Rmerge | 0.065 | 0.039 | 4.272 |
Rmeas | 0.071 | 0.042 | 4.670 |
Rpim | 0.028 | 0.017 | 1.871 |
Total number of observations | 379116 | 2544 | 18213 |
Number of reflections | 40092 | 444 | 2944 |
<I/σ(I)> | 14.2 | 35.6 | 0.4 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 6.3 | 5.7 | 6.2 |
CC(1/2) | 0.999 | 0.999 | 0.415 |
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 |