6Z4M
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
This is a non-PDB format compatible entry.
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 | 2020-02-29 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.411, 68.002, 50.903 |
Unit cell angles | 90.00, 106.23, 90.00 |
Refinement procedure
Resolution | 36.880 - 1.550 |
Rwork | 0.195 |
R-free | 0.20780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uxm |
RMSD bond length | 0.010 |
RMSD bond angle | 1.682 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.880 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.065 | 0.422 |
Rmeas | 0.089 | 0.571 |
Rpim | 0.061 | 0.381 |
Number of reflections | 36425 | 1776 |
<I/σ(I)> | 8.5 | 2 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.1 | 3.1 |
CC(1/2) | 0.992 | 0.798 |
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 |