2RAS

Crystal structure of a putative tetr/acrr family transcriptional regulator (saro_0558) from novosphingobium aromaticivorans dsm at 1.80 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	2007-07-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97925, 0.97901
Spacegroup name	P 21 21 21
Unit cell lengths	64.500, 76.420, 104.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.709 - 1.800
R-factor	0.178
Rwork	0.177
R-free	0.20600
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.422
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.709	29.709	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.034	0.016	0.432
Number of reflections	47914	8519	8152
<I/σ(I)>	14.01	41.2	2
Completeness [%]	96.7	91.3	93.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	277	NANODROP, 0.2M MgCl2, 20.0% PEG 3350, No Buffer pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K