6Q0G
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-proline
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 | 2017-10-10 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 61.730, 71.770, 112.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.953 - 2.000 |
R-factor | 0.2026 |
Rwork | 0.200 |
R-free | 0.26030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c8c |
RMSD bond length | 0.011 |
RMSD bond angle | 1.155 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.478 | 35.953 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.064 | 0.376 | |
Rmeas | 0.100 | 0.071 | 0.406 |
Rpim | 0.038 | 0.029 | 0.151 |
Total number of observations | 118988 | 3512 | 17409 |
Number of reflections | 17230 | 601 | 2471 |
<I/σ(I)> | 11.7 | 21.4 | 4.4 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 6.9 | 5.8 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulfate and Tris-HCl |