8G2R
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-03 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.454, 66.673, 72.435 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.060 - 1.280 |
R-factor | 0.1692 |
Rwork | 0.167 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ov5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.454 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.060 | 1.300 |
High resolution limit [Å] | 1.280 | 1.280 |
Rmerge | 0.087 | 3.026 |
Number of reflections | 60468 | 3133 |
<I/σ(I)> | 9.4 | 0.7 |
Completeness [%] | 92.8 | 97.9 |
Redundancy | 7.4 | 7.7 |
CC(1/2) | 0.998 | 0.361 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M sodium acetate pH 6, 1.25 M ammonium citrate dibasic |