7SS7
Crystal structure of Klebsiella LpxH in complex with JH-LPH-50
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 | 2019-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 106.530, 106.530, 53.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.320 - 1.730 |
R-factor | 0.1693 |
Rwork | 0.168 |
R-free | 0.19310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pj3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.881 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.320 | 1.792 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 36774 | 3624 |
<I/σ(I)> | 21.98 | |
Completeness [%] | 99.9 | |
Redundancy | 11.6 | |
CC(1/2) | 0.999 | 0.929 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 4 mg/mL of LpxH, 0.27 mM JH-LPH-50, 10 mM MES (pH 6.0), 100 mM NaCl, 0.5 mM DTT, 2.5% glycerol, 0.625% DMSO, 0.05 M calcium chloride dihydrate, 0.05 M Tris pH 6.5, 6.5 % w/v PEG 2000 MME |