3CWR

Crystal structure of transcriptional regulator of TetR family (YP_425770.1) from Rhodospirillum rubrum ATCC 11170 at 1.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97852
Spacegroup name	P 65
Unit cell lengths	53.340, 53.340, 234.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.285 - 1.500
R-factor	0.151
Rwork	0.149
R-free	0.18600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.593
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.285	29.285	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.036	0.021	0.366
Number of reflections	59433	11975	10692
<I/σ(I)>	17.05	46.1	2.3
Completeness [%]	98.3	99	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.79	293	NANODROP, 1.27M Ammonium sulfate, 0.1M MES pH 5.79, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	5.79	293	NANODROP, 1.27M Ammonium sulfate, 0.1M MES pH 5.79, VAPOR DIFFUSION, SITTING DROP, temperature 293K