2AQR
CU/ZN superoxide dismutase from neisseria meningitidis K91Q mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 96 |
| Detector technology | CCD |
| Collection date | 2001-06-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.840, 65.052, 77.443 |
| Unit cell angles | 90.00, 121.02, 90.00 |
Refinement procedure
| Resolution | 29.470 - 1.750 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | wild-type |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 42545 | |
| <I/σ(I)> | 16.5 | 4.36 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | AmSO4, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
