6A3L
Crystal structure of cytochrome c' from Shewanella violacea DSS12
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 | P 1 21 1 |
| Unit cell lengths | 44.751, 69.707, 45.598 |
| Unit cell angles | 90.00, 112.19, 90.00 |
Refinement procedure
| Resolution | 22.572 - 2.140 |
| R-factor | 0.2203 |
| Rwork | 0.215 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.078 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.9.9.8 W9DSSI) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.490 | 37.490 | 2.220 |
| High resolution limit [Å] | 2.140 | 4.610 | 2.140 |
| Rmerge | 0.096 | 0.045 | 0.451 |
| Rmeas | 0.110 | 0.051 | 0.517 |
| Total number of observations | 61600 | ||
| Number of reflections | 14369 | 1467 | 1416 |
| <I/σ(I)> | 7.8 | 23.4 | 2.7 |
| Completeness [%] | 99.9 | 99.9 | 100 |
| Redundancy | 4.25 | 4.28 | 4.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 277 | 100 mM CAPS (pH 9.4), 26 % (v/v) PEG 400 |
