7WRM

The malate-bound dimer of chemoreceptor MCP2201 ligand binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2016-03-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	47.420, 59.840, 98.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.690 - 1.800
R-factor	0.1824
Rwork	0.180
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xua
RMSD bond length	0.004
RMSD bond angle	0.657
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (v.1.14)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.098	0.680
Number of reflections	26227	3726
<I/σ(I)>	16.2	3.5
Completeness [%]	98.8	97.6
Redundancy	11.8	10.7
CC(1/2)	0.998	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.6, 22% PEG 3,350, 5%Glycerol