7A61
Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.89996 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.535, 80.033, 56.003 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.280 - 1.250 |
R-factor | 0.1339 |
Rwork | 0.133 |
R-free | 0.15950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qw9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.280 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rpim | 0.046 | 0.823 |
Number of reflections | 75948 | 3711 |
<I/σ(I)> | 9.2 | 0.8 |
Completeness [%] | 100.0 | |
Redundancy | 13.2 | |
CC(1/2) | 0.999 | 0.703 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 2.0 M ammonium sulphate, 5% ethanol |