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 |
