1SP3
Crystal structure of octaheme cytochrome c from Shewanella oneidensis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.7377, 1.7389, 1.6980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.590, 61.767, 185.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.770 - 2.200 |
| R-factor | 0.15983 |
| Rwork | 0.155 |
| R-free | 0.25231 |
| Structure solution method | MAD |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.287 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.800 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.063 | 0.354 |
| Number of reflections | 23745 | |
| <I/σ(I)> | 21.53 | 4.18 |
| Completeness [%] | 96.6 | 93.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1M sodium cacodylate, 0.2M KSCN, 25% PEG2000MME, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
