4XXL
Crystal structure of Class 1 cytochrome MtoD from Sideroxydans lithotrophicus ES-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 92.180, 40.200, 29.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.090 - 1.470 |
| R-factor | 0.19243 |
| Rwork | 0.190 |
| R-free | 0.22990 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.922 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.170 | 1.510 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.083 | 0.597 |
| Number of reflections | 19357 | |
| <I/σ(I)> | 13.6 | 2.5 |
| Completeness [%] | 99.4 | 98.8 |
| Redundancy | 6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M KCN, 30% PEG 2000 MME |
