9BA3

High-resolution crystal structure of the ligand binding domain of the Halomonas titanicae chemoreceptor Htc10 in complex with guanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979500
Spacegroup name	P 21 21 21
Unit cell lengths	89.346, 104.496, 145.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.900 - 2.100
R-factor	0.2121
Rwork	0.211
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.646
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.350	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.093	1.310
Rmeas	0.099	1.383
Rpim	0.032	0.441
Number of reflections	80249	4521
<I/σ(I)>	10.2	1.1
Completeness [%]	100.0
Redundancy	9.4
CC(1/2)	1.000	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	200 mM (NH4)2SO4, 100 mM sodium cacodylate trihydrate pH 6.5, 30% w/v polyethylene glycol 8000