6W3R
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 3-methylisoleucine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-08 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.260, 138.080, 48.830 |
Unit cell angles | 90.00, 93.82, 90.00 |
Refinement procedure
Resolution | 35.990 - 1.380 |
R-factor | 0.1234 |
Rwork | 0.120 |
R-free | 0.17980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xmr |
RMSD bond length | 0.012 |
RMSD bond angle | 1.477 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.990 | 1.460 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.068 | 0.342 |
Number of reflections | 91649 | |
<I/σ(I)> | 9.1 | 2.6 |
Completeness [%] | 81.1 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350, sodium citrate and ammonium sulphate |