6S18

Ligand binding domain of the P. putida receptor PcaY_PP in complex with glycerol

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	44.348, 67.768, 94.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 1.600
R-factor	0.1659
Rwork	0.165
R-free	0.19080
Structure solution method	AB INITIO PHASING
RMSD bond length	0.018
RMSD bond angle	1.450
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Arcimboldo
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.045	0.732
Rmeas	0.051	0.833
Rpim	0.024	0.389
Number of reflections	38133	3766
<I/σ(I)>	17.86
Completeness [%]	99.7	99.42
Redundancy	4.6	4.3
CC(1/2)	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	6.5	293	30% PEG 8000, 0.1M Na Acetate, 0.1M Na-Cacodylate pH 6.50