3NRG

Crystal structure of a TetR family transcriptional regulator (Caur_2714) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.56 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	2010-04-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97951
Spacegroup name	I 41
Unit cell lengths	204.933, 204.933, 57.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.536 - 2.560
R-factor	0.209
Rwork	0.207
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	0.560
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.536		2.650
High resolution limit [Å]	2.560	5.480	2.560
Rmerge	0.104	0.039	0.602
Number of reflections	38398	4069	3754
<I/σ(I)>	9.24	18.1	2.2
Completeness [%]	99.0	99.2	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.71	277	25.6% 2-propanol, 0.1M sodium acetate pH 4.71, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K