8JB8
Crystal structure of CMY-185 complex with ceftazidime
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 | 2021-06-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.143, 89.266, 104.757 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.180 - 2.400 |
| R-factor | 0.1885 |
| Rwork | 0.186 |
| R-free | 0.23030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.742 |
| 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] | 45.200 | 2.550 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.136 | 0.878 |
| Number of reflections | 30373 | 4823 |
| <I/σ(I)> | 15.96 | 2.96 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 13.5 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 24% PEG 20,000, 0.1 M Tris-HCl (pH 8.5) and 0.2 M lithium sulfate |
