6PY4
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-leucine
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 | 2017-10-09 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 70.210, 71.440, 112.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.300 - 2.000 |
R-factor | 0.1928 |
Rwork | 0.191 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c8c |
RMSD bond length | 0.009 |
RMSD bond angle | 1.552 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.349 | 33.266 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.034 | 0.311 | |
Rmeas | 0.083 | 0.038 | 0.336 |
Rpim | 0.032 | 0.015 | 0.126 |
Total number of observations | 131407 | 3987 | 19591 |
Number of reflections | 19503 | 630 | 2817 |
<I/σ(I)> | 13.7 | 28.4 | 4.8 |
Completeness [%] | 99.8 | 93.9 | 100 |
Redundancy | 6.7 | 6.3 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulfate and Tris-HCl |