4NIN
DSVISLS segment 101-107 from Human Superoxide Dismutase
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 | 2011-07-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 4.805, 45.337, 11.300 |
| Unit cell angles | 90.00, 100.52, 90.00 |
Refinement procedure
| Resolution | 22.669 - 1.402 |
| R-factor | 0.1911 |
| Rwork | 0.187 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.923 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.510 |
| High resolution limit [Å] | 1.400 | 2.390 | 1.400 |
| Rmerge | 0.186 | 0.169 | 0.166 |
| Number of reflections | 717 | ||
| <I/σ(I)> | 24.1 | ||
| Completeness [%] | 73.6 | 99.5 | 28.4 |
| Redundancy | 3.7 | 5.7 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1 M MES pH 6.0, 20% PEG 6000, and 5 mM ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
