2AQS
CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 96 |
| Detector technology | CCD |
| Collection date | 2001-11-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.787, 66.492, 49.752 |
| Unit cell angles | 90.00, 101.48, 90.00 |
Refinement procedure
| Resolution | 36.880 - 1.700 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | wild-type |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 32040 | |
| <I/σ(I)> | 7 | 3.6 |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | AmSO4, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
