6FU4

Ligand binding domain (LBD) of the p. aeruginosa histamine receptor TlpQ

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97917, 0.97901, 0.97670
Spacegroup name	P 21 21 2
Unit cell lengths	81.616, 103.983, 147.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.980 - 2.450
Rwork	0.193
R-free	0.23700
Structure solution method	MIRAS
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Auto-Rickshaw
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.980	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.060	0.370
Number of reflections	46027	4544
<I/σ(I)>	12.5	2.9
Completeness [%]	98.1	98.06
Redundancy	3.9	4
CC(1/2)	0.998	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	5.6	298	Counterdiffusion 1.5 M ammonium phosphate, 0.1 M sodium citrate pH 5.6