6I5B
Crystal Structure of Outer Cell Wall Cytochrome OcwA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.855, 62.969, 84.210 |
| Unit cell angles | 101.54, 99.13, 98.41 |
Refinement procedure
| Resolution | 80.940 - 2.200 |
| R-factor | 0.20428 |
| Rwork | 0.203 |
| R-free | 0.23337 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.416 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.940 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.075 | 1.290 |
| Rpim | 0.047 | |
| Number of reflections | 53356 | 4603 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 98.1 | 97.3 |
| Redundancy | 3.5 | 3.4 |
| CC(1/2) | 0.998 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG 3350, 100 mM magnesium chloride, 100 mM HEPES/ NaOH |
