7LLH
KPC-2 F72Y mutant with acylated imipenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976484 |
Spacegroup name | P 1 |
Unit cell lengths | 34.609, 37.123, 83.655 |
Unit cell angles | 88.12, 88.38, 85.48 |
Refinement procedure
Resolution | 36.990 - 2.100 |
R-factor | 0.1842 |
Rwork | 0.182 |
R-free | 0.21920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c5a |
RMSD bond length | 0.004 |
RMSD bond angle | 0.830 |
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] | 36.990 | 2.176 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.030 | 0.127 |
Number of reflections | 23701 | 2374 |
<I/σ(I)> | 18.5 | |
Completeness [%] | 97.8 | 97.14 |
Redundancy | 2.5 | |
CC(1/2) | 0.999 | 0.981 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25% PEG 8,000, 0.1M KsCN, 0.1M Sodium Acetate pH:4.5 |