4NIO
GVTGIAQ segment 147-153 from Human Superoxide Dismutase with I149T mutation associated with a familial form of amyotrophic lateral sclerosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 47.787, 4.787, 17.687 |
| Unit cell angles | 90.00, 109.39, 90.00 |
Refinement procedure
| Resolution | 22.540 - 1.300 |
| R-factor | 0.2051 |
| Rwork | 0.202 |
| R-free | 0.23320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.064 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
| Rmerge | 0.128 | 0.093 | 0.269 |
| Number of reflections | 1053 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 95.7 | 98.5 | 81.6 |
| Redundancy | 4.3 | 5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1 M sodium acetate pH 4.5, 0.7 M hexanediol, vapor diffusion, hanging drop, temperature 298K |
