6PY3
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-isoleucine
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 | 2016-11-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.050, 70.700, 70.990 |
| Unit cell angles | 90.00, 122.10, 90.00 |
Refinement procedure
| Resolution | 37.470 - 1.900 |
| R-factor | 0.1827 |
| Rwork | 0.181 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c8c |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.460 |
| 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] | 60.137 | 37.474 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.022 | 0.306 | |
| Rmeas | 0.061 | 0.026 | 0.355 |
| Rpim | 0.031 | 0.014 | 0.179 |
| Total number of observations | 164140 | 4994 | 23850 |
| Number of reflections | 42486 | 1367 | 6131 |
| <I/σ(I)> | 16.5 | 39.5 | 4.4 |
| Completeness [%] | 96.7 | 94.6 | 96.1 |
| Redundancy | 3.9 | 3.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulfate and Tris-HCl |
