3HW7
High pressure (0.57 GPa) crystal structure of bovine copper, zinc superoxide dismutase at 2.0 angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID27 |
| Synchrotron site | ESRF |
| Beamline | ID27 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-29 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.331 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.845, 50.509, 146.377 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.000 |
| R-factor | 0.17445 |
| Rwork | 0.172 |
| R-free | 0.21808 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cbj |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.513 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.111 | 0.313 |
| Number of reflections | 22012 | |
| <I/σ(I)> | 11.5 | 4.6 |
| Completeness [%] | 91.0 | 83.1 |
| Redundancy | 5.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
