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 |