6S38
Ligand binding domain of the P. putida receptor PcaY_PP in complex with quinate
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 | 44.563, 67.394, 96.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.290 - 2.150 |
R-factor | 0.2058 |
Rwork | 0.203 |
R-free | 0.25190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s18 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.312 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.290 | 2.227 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.052 | 0.920 |
Rmeas | 0.059 | 1.040 |
Rpim | 0.027 | 0.460 |
Number of reflections | 15489 | 1589 |
<I/σ(I)> | 14.01 | 1.57 |
Completeness [%] | 94.1 | 97.6 |
Redundancy | 4.1 | 4.2 |
CC(1/2) | 0.999 | 0.674 |
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 |