1SXS
Reduced bovine superoxide dismutase at pH 5.0 complexed with thiocyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.600, 197.500, 50.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.175 * |
| Rwork | 0.175 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sxc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 0.027 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CCP4 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.076 | 0.264 |
| Total number of observations | 200034 * | |
| Number of reflections | 34111 * | |
| <I/σ(I)> | 8 | 3.6 |
| Completeness [%] | 96.9 | 90.7 |
| Redundancy | 4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | free interface diffusion * | 5 | 22 * | 20 % PEG6K, 20MM HEPES, 100MM NASCN, PH 5.0, SODIUM DITHIONITE (EXCESS), NITROGEN ATMOSPHERE, excess nitrogen atmosphere |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG6000 | 20 (%) | |
| 2 | 1 | 1 | 100 (mM) | ||
| 3 | 1 | 2 | protein | 7 (mg/ml) |
