6J39
Crystal structure of CmiS2 with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-21 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.203, 84.013, 89.926 |
| Unit cell angles | 90.00, 97.27, 90.00 |
Refinement procedure
| Resolution | 44.360 - 2.450 |
| R-factor | 0.21641 |
| Rwork | 0.214 |
| R-free | 0.27028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ryi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.487 |
| 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] | 50.000 | 2.550 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.059 | 0.416 |
| Number of reflections | 32256 | 3633 |
| <I/σ(I)> | 13.8 | 2.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | MES-Na, PEG3350, hexaamminecobalt(III) chloride |
