6SPK
A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9159 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 112.663, 195.546, 76.340 |
Unit cell angles | 90.00, 98.08, 90.00 |
Refinement procedure
Resolution | 97.080 - 2.770 |
R-factor | 0.2129 |
Rwork | 0.211 |
R-free | 0.22880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uxm |
RMSD bond length | 0.005 |
RMSD bond angle | 1.295 |
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] | 97.770 | 2.880 |
High resolution limit [Å] | 2.770 | 2.770 |
Rmerge | 0.171 | 0.665 |
Rmeas | 0.205 | 0.795 |
Rpim | 0.111 | 0.431 |
Number of reflections | 41466 | 4692 |
<I/σ(I)> | 4.7 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.972 | 0.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 2.6 M Ammonium sulphate, 100 mM Tris-HCl pH 7.6, 150 mM NaCl |