7T8G
G93A mutant of human SOD1 bound with MR6-8-2 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) | 0.9800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.840, 67.790, 51.160 |
| Unit cell angles | 90.00, 106.29, 90.00 |
Refinement procedure
| Resolution | 37.280 - 1.350 |
| R-factor | 0.1897 |
| Rwork | 0.189 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wko |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.502 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.280 | 37.280 | 1.370 |
| High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
| Rmerge | 0.056 | 0.048 | 0.448 |
| Rmeas | 0.068 | 0.058 | 0.597 |
| Rpim | 0.037 | 0.033 | 0.391 |
| Total number of observations | 160074 | 1042 | 3900 |
| Number of reflections | 54318 | 348 | 2167 |
| <I/σ(I)> | 11.1 | 22 | 1.8 |
| Completeness [%] | 97.3 | 96.2 | 78.8 |
| Redundancy | 2.9 | 3 | 1.8 |
| CC(1/2) | 0.996 | 0.987 | 0.791 |
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 |
