6A3K
Crystal structure of cytochrome c' from Shewanella benthica DB6705
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-12-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.672, 52.470, 50.929 |
| Unit cell angles | 90.00, 132.85, 90.00 |
Refinement procedure
| Resolution | 21.263 - 1.710 |
| R-factor | 0.169 |
| Rwork | 0.166 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.884 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.9.9.8 W9DSSI) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.340 | 37.340 | 1.770 |
| High resolution limit [Å] | 1.710 | 3.680 | 1.710 |
| Rmerge | 0.061 | 0.034 | 0.214 |
| Rmeas | 0.070 | 0.039 | 0.259 |
| Total number of observations | 62136 | ||
| Number of reflections | 15047 | 1566 | 1299 |
| <I/σ(I)> | 16.9 | 48.6 | 3.8 |
| Completeness [%] | 98.5 | 99.4 | 85.6 |
| Redundancy | 4.1 | 4.2 | 3.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 277 | 100 mM CAPS (pH 10.5), 30% (v/v) PEG 400 |
