6S37
Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.842, 69.404, 93.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.440 - 2.300 |
R-factor | 0.1981 |
Rwork | 0.195 |
R-free | 0.25450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s18 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.449 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.440 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.114 | 1.140 |
Rmeas | 0.127 | 1.270 |
Rpim | 0.054 | 0.559 |
Number of reflections | 13404 | 1321 |
<I/σ(I)> | 12.44 | 1.58 |
Completeness [%] | 99.0 | 99.47 |
Redundancy | 5.3 | 5.1 |
CC(1/2) | 0.998 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 6.5 | 293 | 30% PEG 8K, 0.1M Na Acetate, 0.1M Na-Cacodylate pH 6.50 |