8JB7
Crystal structure of CMY-185
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.846, 89.687, 104.495 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.100 - 1.350 |
| R-factor | 0.1409 |
| Rwork | 0.139 |
| R-free | 0.17720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.100 | 1.430 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.081 | 0.888 |
| Number of reflections | 163856 | 26083 |
| <I/σ(I)> | 17.42 | 2.72 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 13.5 | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 24% PEG 20000, 0.1 M Tris-HCl (pH 8.5) and 0.2 M lithium sulfate |
