3T6K

Crystal structure of a putative response regulator (Caur_3799) from Chloroflexus aurantiacus J-10-fl at 1.86 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97916,0.91837,0.97876
Spacegroup name	P 61 2 2
Unit cell lengths	106.503, 106.503, 137.984
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.117 - 1.860
R-factor	0.1605
Rwork	0.160
R-free	0.17650
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.117		1.930
High resolution limit [Å]	1.860	4.000	1.860
Rmerge	0.144	0.041	1.300
Rmeas	0.150	0.043	1.358
Total number of observations	472009
Number of reflections	39465	4284	4052
<I/σ(I)>	15.8	48.6	2.2
Completeness [%]	99.9	99.8	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% polyethylene glycol 3350, 0.2M ammonium sulfate, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP