9VIU
Crystal structure of WCK4234 in complex with SME-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-17 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.374, 51.484, 129.687 |
| Unit cell angles | 90.00, 90.72, 90.00 |
Refinement procedure
| Resolution | 21.622 - 2.800 |
| Rwork | 0.236 |
| R-free | 0.30310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.530 |
| 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] | 29.150 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rpim | 0.112 | |
| Number of reflections | 11713 | 1729 |
| <I/σ(I)> | 7.4 | |
| Completeness [%] | 99.8 | |
| Redundancy | 7.7 | |
| CC(1/2) | 0.987 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M lithium chloride, PEG 4000 20% |
