5YTO
Crystal Structure of human Superoxide Dismutase I (hSOD1) in complex with a napthalene-catechol linked compound.
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 | 2015-07-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 243.941, 243.941, 144.775 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.18085 |
| Rwork | 0.179 |
| R-free | 0.21492 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hl5 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.721 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| 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 | 0.086 | 0.690 |
| Number of reflections | 186105 | 9333 |
| <I/σ(I)> | 29.5 | 1.9 |
| Completeness [%] | 99.4 | 95.7 |
| Redundancy | 13.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | sodium citrate, pH 6.0 |
