6Q0F
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-valine
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 | 2018-02-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 60.210, 71.830, 112.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.670 - 2.200 |
R-factor | 0.2057 |
Rwork | 0.202 |
R-free | 0.28580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c8c |
RMSD bond length | 0.005 |
RMSD bond angle | 1.510 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (3.3.22) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.508 | 35.647 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.035 | 0.353 | |
Rmeas | 0.072 | 0.042 | 0.407 |
Rpim | 0.035 | 0.023 | 0.199 |
Total number of observations | 48123 | 1431 | 7042 |
Number of reflections | 12446 | 402 | 1820 |
<I/σ(I)> | 14.2 | 30.3 | 4.3 |
Completeness [%] | 98.5 | 91 | 99.7 |
Redundancy | 3.9 | 3.6 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulfate and Tris-HCl |