5XUB

The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	93
Detector technology	CCD
Collection date	2013-11-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9789
Spacegroup name	H 3
Unit cell lengths	49.400, 49.400, 406.342
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.864 - 2.500
R-factor	0.2087
Rwork	0.203
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5XUD
RMSD bond length	0.007
RMSD bond angle	0.983
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.150	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.152	0.291
Number of reflections	12095	1744
<I/σ(I)>	4.3	2.2
Completeness [%]	94.5	94
Redundancy	2.3	1.9
CC(1/2)	0.953	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M Sodium citrate pH 4.4, 14% PEG 400, 13% Ethylene glycol