4A7V
Structure of human I113T SOD1 mutant complexed with dopamine in the p21 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-10 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.396, 68.035, 49.851 |
Unit cell angles | 90.00, 104.82, 90.00 |
Refinement procedure
Resolution | 48.190 - 1.000 |
R-factor | 0.1591 |
Rwork | 0.158 |
R-free | 0.18083 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.015 |
RMSD bond angle | 1.728 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.040 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.050 | 0.590 |
Number of reflections | 128603 | |
<I/σ(I)> | 16.4 | 1.6 |
Completeness [%] | 96.8 | 80.4 |
Redundancy | 3.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 100 MM SODIUM ACETATE, 150 MM SODIUM CHLORIDE, 2.5 M AMMONIUM SULPHATE PH 5 |