4B3E
Structure of copper-zinc superoxide dismutase complexed with bicarbonate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-21 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 165.994, 203.107, 144.384 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.150 |
| R-factor | 0.1767 |
| Rwork | 0.175 |
| R-free | 0.21496 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sos |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.334 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.120 | 0.680 |
| Number of reflections | 124983 | |
| <I/σ(I)> | 8.1 | 2.2 |
| Completeness [%] | 94.7 | 96.3 |
| Redundancy | 5.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1 M AMMONIUM SULPHATE, 50 MM TRIS PH 8.0 AND 50 MM NACL |
