7T8F
G93A mutant of human SOD1 bound with Ebselen in P21 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-22 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.980000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.672, 67.989, 50.422 |
| Unit cell angles | 90.00, 105.61, 90.00 |
Refinement procedure
| Resolution | 48.609 - 1.400 |
| Rwork | 0.203 |
| R-free | 0.22490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wko |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.690 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.990 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.109 | 0.496 |
| Rmeas | 0.151 | 0.619 |
| Rpim | 0.104 | 0.468 |
| Number of reflections | 49165 | 2267 |
| <I/σ(I)> | 5.4 | 1.6 |
| Completeness [%] | 99.4 | 93.5 |
| Redundancy | 3 | 2 |
| CC(1/2) | 0.976 | 0.576 |
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 |
