5XUA

The ligand-free dimer 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	2014-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	64.780, 105.030, 91.070
Unit cell angles	90.00, 90.95, 90.00

Refinement procedure

Resolution	53.199 - 2.800
R-factor	0.2241
Rwork	0.222
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5XUD
RMSD bond length	0.004
RMSD bond angle	0.752
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.130	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.107	0.643
Number of reflections	30025	4389
<I/σ(I)>	7.7	2.3
Completeness [%]	99.5	99.8
Redundancy	3.6	3.7
CC(1/2)	0.994	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	277	0.1 M BIS-TRIS propane pH 9.4 20% PEG 5,000 MME 2-5% 2-Propanol, 2-5% Glycerol