8RWS
KPC-2 G89D/E166Q Mutant in Complex with Meropenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.81531 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.117, 78.753, 56.155 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.390 - 1.090 |
| R-factor | 0.1753 |
| Rwork | 0.174 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.019 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.390 | 1.110 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Rpim | 0.042 | 1.105 |
| Number of reflections | 110930 | 5376 |
| <I/σ(I)> | 7 | 0.3 |
| Completeness [%] | 99.4 | |
| Redundancy | 13.4 | |
| CC(1/2) | 0.324 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 2 M Ammonium Sulphate, 5 % Ethanol |
