1PTZ
Crystal structure of the human CU, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (FALS) Mutant H43R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 96 |
| Detector technology | CCD |
| Collection date | 1999-03-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9780 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.199, 47.525, 56.041 |
| Unit cell angles | 90.00, 97.99, 90.00 |
Refinement procedure
| Resolution | 29.000 * - 1.800 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 25.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 * | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.057 * | 0.185 * |
| Total number of observations | 79802 * | |
| Number of reflections | 25294 | |
| <I/σ(I)> | 15.4 | 4.72 |
| Completeness [%] | 97.4 | 97.7 * |
| Redundancy | 3.15 | 3.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | ammonium sulphate, sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 2.6 (M) | |
| 3 | 1 | reservoir | 1.45 (M) | ||
| 4 | 1 | reservoir | Tris-HCl | 50 (mM) | pH7.5 |
