8TN0
Crystal structure of KPC-44 carbapenemase w/o cryoprotectant
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) | 0.999983 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 72.338, 72.338, 84.715 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.260 - 1.310 |
R-factor | 0.1371 |
Rwork | 0.136 |
R-free | 0.16160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.908 |
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] | 35.000 | 1.360 |
High resolution limit [Å] | 1.310 | 1.310 |
Rmeas | 0.055 | |
Rpim | 0.017 | |
Number of reflections | 61867 | 4503 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 97.2 | 73.57 |
Redundancy | 10.3 | |
CC(1/2) | 0.952 | 0.736 |
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 |