6B1H
Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by co-crystallization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12708 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.487, 37.372, 81.831 |
| Unit cell angles | 87.78, 89.96, 84.53 |
Refinement procedure
| Resolution | 33.360 - 1.800 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.056 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 33.360 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 35855 |
| <I/σ(I)> | 9.6 |
| Completeness [%] | 95.1 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 200mM Lithium sulfate, 100mM sodium acetate pH 4.4-4.6, and 28-31% PEG8000 with 1:10 molar excess WCK 4234 |
