5BWJ
Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97910 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.300, 62.853, 111.808 |
Unit cell angles | 90.00, 101.32, 90.00 |
Refinement procedure
Resolution | 37.660 - 2.054 |
R-factor | 0.1945 |
Rwork | 0.193 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.641 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.660 | 2.105 |
High resolution limit [Å] | 2.050 | 2.054 |
Rmerge | 0.554 | |
Number of reflections | 49534 | |
<I/σ(I)> | 8.82 | 1.79 |
Completeness [%] | 99.5 | 99.03 |
Redundancy | 3.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | D1 samples were concentrated to 1.7 mg/ml in 50 mM Tris (pH 7.5), 50 mM NaCl and 1 mM Tris (2-carboxyethyl) phosphine (TCEP). Crystals grown in 0.1M Tris-HCl (pH 8.0), 0.1 M Mg(NO3)2 and 18% PEG 20,000 equilibrated by hanging drop |