2AQP
CU/ZN superoxide dismutase from neisseria meningitidis E73A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 96 |
Collection date | 2001-01-31 |
Detector | MARRESEARCH |
Wavelength(s) | 1.08 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.874, 48.697, 49.042 |
Unit cell angles | 90.00, 109.57, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.300 |
R-factor | 0.1353 |
Rwork | 0.135 |
R-free | 0.18270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | WILD-TYPE |
RMSD bond length | 0.011 |
RMSD bond angle | 0.028 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.045 | 0.250 |
Number of reflections | 75512 | |
<I/σ(I)> | 14.6 | 4.54 |
Completeness [%] | 94.7 | 82.7 |
Redundancy | 4.03 | 3.57 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |