6DB1

2.0 Angstrom Resolution Crystal Structure of N-Terminal Ligand-Binding Domain of Putative Methyl-Accepting Chemotaxis Protein from Salmonella enterica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 63
Unit cell lengths	89.226, 89.226, 65.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.210 - 2.000
R-factor	0.22438
Rwork	0.222
R-free	0.26448
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.361
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	0.826
Rmeas	0.084	0.926
Rpim	0.036	0.415
Number of reflections	20259	1009
<I/σ(I)>	28.9	2.04
Completeness [%]	99.8	100
Redundancy	5.6	4.9
CC(1/2)		0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	Protein: 7.0 mg/ml, 0.01M Tris HCl (pH 8.3), ATP, Mg, Screen: PACT (C5), 0.1 PCB buffer (pH 8.0), 25% (w/v) PEG 1500