9IYK
Crystal structure of hSOD1 in C121 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-12-01 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 178.190, 138.250, 112.930 |
Unit cell angles | 90.00, 129.20, 90.00 |
Refinement procedure
Resolution | 48.920 - 2.340 |
R-factor | 0.2014 |
Rwork | 0.198 |
R-free | 0.26320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.634 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.470 | 2.380 |
High resolution limit [Å] | 2.340 | 2.340 |
Number of reflections | 88500 | 4366 |
<I/σ(I)> | 9 | |
Completeness [%] | 99.2 | |
Redundancy | 7.13 | |
CC(1/2) | 0.939 | 0.237 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Ammonium sulfate, sodium acetate |