6Z4H
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 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) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.613, 68.289, 50.899 |
| Unit cell angles | 90.00, 105.76, 90.00 |
Refinement procedure
| Resolution | 39.836 - 1.950 |
| Rwork | 0.221 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uxm |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.608 |
| 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] | 39.840 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.065 | 0.344 |
| Rmeas | 0.091 | 0.480 |
| Rpim | 0.063 | 0.333 |
| Number of reflections | 18560 | 1259 |
| <I/σ(I)> | 7.4 | 2.3 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 3.1 | 3.2 |
| CC(1/2) | 0.985 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 100mM NaOAc pH 4.7, 150mM NaCl, 2.6M ammonium sulphate |
