6S33
Ligand binding domain of the P. putida receptor PcaY_PP in complex with Protocatechuate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.886, 67.714, 94.461 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.540 - 1.560 |
R-factor | 0.1695 |
Rwork | 0.168 |
R-free | 0.19760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s18 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.789 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.540 | 1.616 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.061 | 0.990 |
Rmeas | 0.069 | 1.150 |
Rpim | 0.031 | 0.560 |
Number of reflections | 40599 | 3956 |
<I/σ(I)> | 11.29 | 1.09 |
Completeness [%] | 97.1 | 96.42 |
Redundancy | 4.1 | 3.6 |
CC(1/2) | 0.999 | 0.507 |
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 |