5O40
SOD1 bound to Ebselen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.100, 67.840, 51.040 |
| Unit cell angles | 90.00, 106.35, 90.00 |
Refinement procedure
| Resolution | 48.980 - 1.500 |
| R-factor | 0.17079 |
| Rwork | 0.168 |
| R-free | 0.21526 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v0a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.363 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.010 | 1.520 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.110 | 0.590 |
| Number of reflections | 39891 | |
| <I/σ(I)> | 5.9 | 1.5 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 100 mM NaACT pH 4, 2.4 M AMSO4, 150 mM NaCl |
