6Z4O
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 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 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-14 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.339, 67.949, 50.456 |
Unit cell angles | 90.00, 105.54, 90.00 |
Refinement procedure
Resolution | 48.611 - 1.400 |
Rwork | 0.208 |
R-free | 0.23210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uxm |
RMSD bond length | 0.015 |
RMSD bond angle | 1.874 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.611 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.048 | 0.401 |
Rmeas | 0.065 | 0.548 |
Rpim | 0.045 | 0.372 |
Number of reflections | 54620 | 2804 |
<I/σ(I)> | 9.7 | 1.8 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 3.2 | 2.6 |
CC(1/2) | 0.997 | 0.795 |
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 |