8TJM
Crystal structure of KPC-44 carbapenemase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-06-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00002 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 72.180, 72.180, 84.981 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.220 - 1.280 |
R-factor | 0.1462 |
Rwork | 0.145 |
R-free | 0.16660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.909 |
Data reduction software | iMOSFLM (7.3.0) |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.220 | 1.330 |
High resolution limit [Å] | 1.280 | 1.280 |
Number of reflections | 66426 | 4939 |
<I/σ(I)> | 14 | |
Completeness [%] | 97.4 | 75.34 |
Redundancy | 11.7 | |
CC(1/2) | 0.969 | 0.835 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 0.2 M lithium sulfate, 0.1 M phosphate-citrate, pH 4.0-4.4, and 22-24% (w/v) PEG 1000 |