3ECW
Crystal structure of the ALS-related pathological mutant T54R of human apo Cu,Zn Superoxide Dismutase (SOD1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-07 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.99180 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 156.940, 34.033, 114.585 |
Unit cell angles | 90.00, 112.14, 90.00 |
Refinement procedure
Resolution | 39.190 - 2.150 |
R-factor | 0.20907 |
Rwork | 0.200 |
R-free | 0.29720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hl5 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.248 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.200 | 2.300 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.098 | 0.443 |
Number of reflections | 29951 | |
<I/σ(I)> | 6.4 | 1.9 |
Completeness [%] | 96.0 | 91.2 |
Redundancy | 3.3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.1 | 0.1 M HEPES 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289.1K |