8YD3
Crystal structure of human Cu-Zn Superoxide Dismutase 1 in complex with 1,2,10-Decanetriol
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2021-02-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 163.666, 202.311, 143.668 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.710 - 1.960 |
R-factor | 0.1807 |
Rwork | 0.179 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.942 |
Data reduction software | autoPROC (v1.1.7) |
Data scaling software | autoPROC (v1.1.7) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.711 | 82.711 | 1.999 |
High resolution limit [Å] | 1.960 | 5.333 | 1.960 |
Rmerge | 0.065 | 0.030 | 0.593 |
Rmeas | 0.075 | 0.034 | 0.675 |
Rpim | 0.036 | 0.016 | 0.317 |
Number of reflections | 153700 | 8625 | 8369 |
<I/σ(I)> | 15.2 | 38.9 | 2.5 |
Completeness [%] | 91.2 | 98.1 | 99.5 |
Redundancy | 4.2 | 4.2 | 4.4 |
CC(1/2) | 0.997 | 0.999 | 0.783 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.3 M Sodium citrate |