4A7Q
Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline 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 | 2010-06-02 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.010, 68.210, 49.010 |
| Unit cell angles | 90.00, 104.11, 90.00 |
Refinement procedure
| Resolution | 39.000 - 1.220 |
| R-factor | 0.12664 |
| Rwork | 0.125 |
| R-free | 0.15925 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.638 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 1.290 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.080 | 0.520 |
| Number of reflections | 70164 | |
| <I/σ(I)> | 9.7 | 1.9 |
| Completeness [%] | 97.3 | 87.2 |
| Redundancy | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 100 MM SODIUM ACETATE PH 5, 150 MM SODIUM CHLORIDE, 2.5 AMMONIUM SULPHATE |
