6PY5
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-serine
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 | 2015-10-29 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 67.240, 76.090, 113.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.800 - 1.900 |
| R-factor | 0.1975 |
| Rwork | 0.196 |
| R-free | 0.23380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c8c |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.480 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.830 | 33.830 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.055 | 0.026 | 0.417 |
| Rmeas | 0.063 | 0.030 | 0.475 |
| Rpim | 0.029 | 0.015 | 0.220 |
| Total number of observations | 79149 | 599 | 5083 |
| Number of reflections | 21256 | 171 | 1353 |
| <I/σ(I)> | 12.7 | 30.2 | 2.5 |
| Completeness [%] | 92.3 | 72.6 | 94 |
| Redundancy | 3.7 | 3.5 | 3.8 |
| CC(1/2) | 0.998 | 0.997 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulfate and Tris-HCl |
