3OUE
Structure of C-terminal hexaheme fragment of GSU1996
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-25 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.74080, 1.73866, 1.69123, 1.78883 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.800, 66.400, 94.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.010 - 2.150 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.25100 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 3.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.048 | 0.237 |
| Number of reflections | 24950 | |
| <I/σ(I)> | 34 | 5 |
| Completeness [%] | 91.8 | 64.6 |
| Redundancy | 4.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | SaltRx-50: 1.8 M ammonium dihydrogen phosphate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
