3GZI

CRYSTAL STRUCTURE OF a transcriptional regulator of the tetR family (SHEW_3567) FROM SHEWANELLA LOIHICA PV-4 AT 2.05 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-09
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 2
Unit cell lengths	77.830, 45.836, 68.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.670 - 2.050
R-factor	0.19
Rwork	0.187
R-free	0.24800
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.477
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.670	29.670	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.096	0.049	0.765
Total number of observations		803	5714
Number of reflections	16032
<I/σ(I)>	10	23.2	1.8
Completeness [%]	100.0	97	100
Redundancy	4.8	3.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	40.0000% Ethylene-Glycol, 5.0000% PEG-3000, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K