6FFK
Human apo-SOD1 bound to PtCl2(1R,2R-1,4-DACH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.972 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.850, 35.370, 114.590 |
| Unit cell angles | 90.00, 112.26, 90.00 |
Refinement procedure
| Resolution | 28.460 - 1.940 |
| R-factor | 0.227 |
| Rwork | 0.226 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3re0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.000 |
| High resolution limit [Å] | 1.940 | 1.950 |
| Rmerge | 0.062 | 0.540 |
| Number of reflections | 82609 | 12658 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 98.0 | 92.3 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M HEPES, 20% PEG 3350 |
