8DJS
Cytosolic ascorbate peroxidase from Sorghum bicolor - one 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 | 2022-04-22 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9774 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.152, 74.730, 82.954 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.480 - 1.190 |
R-factor | 0.1469 |
Rwork | 0.147 |
R-free | 0.15560 |
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] | 41.480 | 41.480 | 1.210 |
High resolution limit [Å] | 1.190 | 6.520 | 1.190 |
Rmerge | 0.075 | 0.042 | 0.521 |
Rmeas | 0.082 | 0.046 | 0.737 |
Rpim | 0.033 | 0.018 | 0.521 |
Total number of observations | 418318 | 3346 | 1627 |
Number of reflections | 72524 | 557 | 1387 |
<I/σ(I)> | 13 | 38.1 | 1 |
Completeness [%] | 94.5 | 99.6 | 38.1 |
Redundancy | 5.8 | 6 | 1.2 |
CC(1/2) | 0.998 | 0.998 | 0.614 |
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 |