6ITS

The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	93
Detector technology	CCD
Collection date	2013-09-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97907
Spacegroup name	H 3
Unit cell lengths	48.860, 48.860, 376.152
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.049 - 2.501
R-factor	0.1902
Rwork	0.184
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xub
RMSD bond length	0.008
RMSD bond angle	1.019
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.050	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.126	0.557
Rmeas	0.148	0.663
Rpim	0.075	0.353
Number of reflections	11135	1226
<I/σ(I)>	6.6	2.3
Completeness [%]	95.7	92.2
Redundancy	3.3	3
CC(1/2)	0.987	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	295	0.1 M SODIUM CITRATE PH 4.4, 14% PEG400, 13% ETHYLENE GLYCOL