6SPI
A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-29 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.526, 194.671, 146.526 |
Unit cell angles | 90.00, 93.44, 90.00 |
Refinement procedure
Resolution | 58.540 - 2.800 |
R-factor | 0.2146 |
Rwork | 0.213 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uxm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.353 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.540 | 2.860 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.202 | 0.724 |
Rmeas | 0.245 | 0.890 |
Rpim | 0.136 | 0.510 |
Number of reflections | 77624 | 4567 |
<I/σ(I)> | 3.7 | |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.1 | 3 |
CC(1/2) | 0.965 | 0.538 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 100mM Tris-HCl pH 7.8, 2.6 M ammonium sulphate |