5O3Y
SOD1 bound to Ebsulfur
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.050, 67.960, 51.180 |
| Unit cell angles | 90.00, 106.73, 90.00 |
Refinement procedure
| Resolution | 49.010 - 1.300 |
| R-factor | 0.15308 |
| Rwork | 0.151 |
| R-free | 0.18566 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v0a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.425 |
| 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] | 67.840 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.064 | 0.566 |
| Number of reflections | 60537 | |
| <I/σ(I)> | 7.1 | 1.4 |
| Completeness [%] | 98.8 | 97.7 |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.75 | 293 | 100 mM NaAct pH 3.75, 100 mM NaCl, 2.8 M AmSO4 |
