7LJK
Crystal structure of the deacylation deficient KPC-2 F72Y mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-09-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.99999 |
Spacegroup name | P 1 |
Unit cell lengths | 34.325, 37.310, 82.178 |
Unit cell angles | 92.43, 90.41, 94.62 |
Refinement procedure
Resolution | 37.150 - 1.810 |
R-factor | 0.1586 |
Rwork | 0.157 |
R-free | 0.19710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c5a |
RMSD bond length | 0.007 |
RMSD bond angle | 0.903 |
Data reduction software | xia2 |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.150 | 1.875 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.057 | |
Number of reflections | 32888 | 3244 |
<I/σ(I)> | 10.84 | |
Completeness [%] | 88.9 | |
Redundancy | 1.8 | |
CC(1/2) | 0.986 | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 25% PEG 8,000, 0.1M KsCN, 0.1M Sodium Acetate pH:4.5 |