7CL2
The crystal structure of KanJ
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 | 2019-05-26 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.202, 182.209, 109.228 |
| Unit cell angles | 90.00, 93.97, 90.00 |
Refinement procedure
| Resolution | 46.800 - 2.000 |
| R-factor | 0.1847 |
| Rwork | 0.184 |
| R-free | 0.20620 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.396 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.039 | 0.523 |
| Rmeas | 0.054 | 0.730 |
| Rpim | 0.029 | 0.507 |
| Number of reflections | 131122 | 6449 |
| <I/σ(I)> | 15.6 | 2.1 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.4 | |
| CC(1/2) | 0.999 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 4000, Lithium sulfate, Tris |
