8ATE
Galacturonic acid oxidase from Citrus sinensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-13 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 101.653, 101.653, 108.746 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 88.030 - 1.920 |
R-factor | 0.20719 |
Rwork | 0.205 |
R-free | 0.24398 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | alpha fold |
RMSD bond length | 0.010 |
RMSD bond angle | 1.678 |
Data reduction software | XDS (0.7.2) |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASES |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.750 | 1.960 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.086 | 2.840 |
Rmeas | 0.089 | 2.932 |
Rpim | 0.022 | 0.724 |
Total number of observations | 714593 | 53533 |
Number of reflections | 45258 | 3312 |
<I/σ(I)> | 16.9 | 1.2 |
Completeness [%] | 90.0 | |
Redundancy | 15.8 | 16.2 |
CC(1/2) | 0.999 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M NaI, 20% PEG3350 |