5LT9
Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 111.729, 111.729, 117.551 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.353 - 3.000 |
R-factor | 0.2164 |
Rwork | 0.215 |
R-free | 0.24790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t65 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.638 |
Data scaling software | Aimless (0.2.14) |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 117.550 | 117.550 | 3.180 |
High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
Rmerge | 0.116 | 0.047 | 0.937 |
Rmeas | 0.122 | ||
Rpim | 0.040 | ||
Total number of observations | 157570 | ||
Number of reflections | 17440 | ||
<I/σ(I)> | 12.9 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 9 | 8.1 | 6.6 |
CC(1/2) | 0.998 | 0.998 | 0.692 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 7.5 | 293 | Capillary counterdiffusion: 1.25 M sodium citrate & 0.1 M Hepes pH 7.5 |