7FB6
C57D/C146D mutant of Human Cu, Zn Superoxide Dismutase (SOD1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100.15 |
Detector technology | CCD |
Collection date | 2021-04-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.319, 48.554, 55.015 |
Unit cell angles | 90.00, 93.17, 90.00 |
Refinement procedure
Resolution | 36.380 - 1.800 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pu0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.104 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.113 | 0.297 |
Rpim | 0.045 | 0.139 |
Number of reflections | 23316 | 996 |
<I/σ(I)> | 11.9671 | 3.79 |
Completeness [%] | 96.7 | 84.2 |
Redundancy | 4.8 | 3.3 |
CC(1/2) | 0.976 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 287.15 | 0.2M MgCl2, 22% (w/v) PEG 3350 |