3RE0
Crystal structure of human apo Cu,Zn superoxide dismutase (SOD1) complexed with cisplatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93616 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 157.412, 34.805, 115.225 |
| Unit cell angles | 90.00, 112.28, 90.00 |
Refinement procedure
| Resolution | 39.320 - 2.280 |
| R-factor | 0.21598 |
| Rwork | 0.209 |
| R-free | 0.28952 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ecu |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.825 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.320 | 2.380 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.100 | 0.570 |
| Number of reflections | 27768 | |
| <I/σ(I)> | 4.3 | 1.6 |
| Completeness [%] | 92.6 | 96.5 |
| Redundancy | 4.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG 3350, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
