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 |