6PXY
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-alanine
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 | 66.260, 75.280, 113.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.400 - 2.000 |
| R-factor | 0.2061 |
| Rwork | 0.204 |
| R-free | 0.24910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c8c |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.473 |
| 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] | 37.640 | 37.640 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.057 | 0.024 | 0.423 |
| Rmeas | 0.065 | 0.028 | 0.483 |
| Rpim | 0.030 | 0.014 | 0.225 |
| Total number of observations | 63624 | 419 | 4831 |
| Number of reflections | 16753 | 114 | 1259 |
| <I/σ(I)> | 12 | 25.7 | 3.2 |
| Completeness [%] | 87.1 | 45.4 | 89.8 |
| Redundancy | 3.8 | 3.7 | 3.8 |
| CC(1/2) | 0.998 | 0.997 | 0.925 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulfate and Tris-HCl |
