6WII
Crystal structure of the K. pneumoniae LpxH/JH-LPH-41 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 105.710, 105.710, 53.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.770 - 1.850 |
R-factor | 0.1616 |
Rwork | 0.160 |
R-free | 0.18700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pj3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.863 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.290 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmeas | 0.092 | 0.863 |
Number of reflections | 29725 | 2156 |
<I/σ(I)> | 16.88 | |
Completeness [%] | 99.9 | |
Redundancy | 10.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 4 mg/mL of LpxH, 0.27 mM JH-LPH-41, 10 mM MES (pH 6.0), 100 mM NaCl, 100 mM KCl, 50 mM sodium citrate (pH 5.5), 18.5% pentaerythritol propoxylate (5/4 PO/OH), 0.5mM DTT, 1% DMSO, 2.5% glycerol |