9IL7
Crystal Structure of SME E166A in Complex with Ceftaroline Fosamil
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-19 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.621, 51.076, 129.792 |
| Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
| Resolution | 21.741 - 2.400 |
| Rwork | 0.190 |
| R-free | 0.26040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.760 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rpim | 0.115 | 0.167 |
| Number of reflections | 18330 | 1867 |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 99.3 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.993 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 4000, Lithium Chloride 0.2M |
