6J38
Crystal structure of CmiS2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-14 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.370, 83.620, 89.960 |
| Unit cell angles | 90.00, 96.95, 90.00 |
Refinement procedure
| Resolution | 89.300 - 2.300 |
| R-factor | 0.2266 |
| Rwork | 0.225 |
| R-free | 0.25954 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ryi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.318 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.300 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.077 | 0.349 |
| Number of reflections | 38876 | 5659 |
| <I/σ(I)> | 10.4 | 3.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | MES-Na, PEG3350, hexaamminecobalt(III) chloride |
