5YTU
Structure of human SOD1 complexed with isoproteranol in C2221 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.95372 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 164.521, 203.791, 144.771 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.18104 |
Rwork | 0.179 |
R-free | 0.22124 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a7s |
RMSD bond length | 0.014 |
RMSD bond angle | 1.536 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.078 | 0.740 |
Number of reflections | 184956 | 5930 |
<I/σ(I)> | 20.47 | 1 |
Completeness [%] | 95.9 | 62.1 |
Redundancy | 5.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 300 | Sodium Citrate, pH 6.0 |