6B1F
Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by soaking
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 315 |
| Wavelength(s) | 1.12708 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.540, 37.432, 82.339 |
| Unit cell angles | 92.33, 90.05, 95.25 |
Refinement procedure
| Resolution | 31.780 - 1.440 |
| R-factor | 0.1508 |
| Rwork | 0.149 |
| R-free | 0.17420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.167 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 37.240 |
| High resolution limit [Å] | 1.440 |
| Number of reflections | 67950 |
| <I/σ(I)> | 13.1 |
| Completeness [%] | 91.6 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 20% PEG 6000, 100 mM citrate pH 4.0, 100 mM KSCN, and 10 mM CdCl2. Crystal soaked for 3hr in 10mM WCK 4234 |
