6Z4J
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 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 | 38.495, 68.321, 51.321 |
| Unit cell angles | 90.00, 106.36, 90.00 |
Refinement procedure
| Resolution | 36.964 - 1.550 |
| Rwork | 0.189 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uxm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.746 |
| 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] | 36.964 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.042 | 0.279 |
| Rmeas | 0.058 | 0.376 |
| Rpim | 0.040 | 0.250 |
| Number of reflections | 36977 | 1794 |
| <I/σ(I)> | 11.6 | 2 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.998 | 0.887 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 100mM NaOAc pH 4.7, 150mM NaCl, 2.5M ammonium sulphate |
