7T8H
G93A mutant of human SOD1 bound with MR6-26-2 in P21 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-22 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.540, 68.478, 49.965 |
Unit cell angles | 90.00, 105.02, 90.00 |
Refinement procedure
Resolution | 48.303 - 1.500 |
Rwork | 0.186 |
R-free | 0.22360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wko |
RMSD bond length | 0.014 |
RMSD bond angle | 1.550 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.303 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.052 | 0.301 |
Rmeas | 0.072 | 0.415 |
Rpim | 0.049 | 0.284 |
Number of reflections | 40225 | 1769 |
<I/σ(I)> | 9.4 | 2.1 |
Completeness [%] | 99.1 | 88.6 |
Redundancy | 2.9 | 2.1 |
CC(1/2) | 0.994 | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 100mM NaOAc pH 4.7, 150mM NaCl, 2.7M ammonium sulphate |