5YTU
Structure of human SOD1 complexed with isoproteranol in C2221 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 164.521, 203.791, 144.771 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.18104 |
| Rwork | 0.179 |
| R-free | 0.22124 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a7s |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.536 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 0.740 |
| Number of reflections | 184956 | 5930 |
| <I/σ(I)> | 20.47 | 1 |
| Completeness [%] | 95.9 | 62.1 |
| Redundancy | 5.4 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | Sodium Citrate, pH 6.0 |
