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 |
