3RH2

Crystal structure of a TetR-like transcriptional regulator (Sama_0099) from Shewanella amazonensis SB2B at 2.42 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97934,0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	123.536, 123.536, 49.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.118 - 2.420
R-factor	0.2068
Rwork	0.205
R-free	0.24960
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.724
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.118		2.510
High resolution limit [Å]	2.420	5.190	2.420
Rmerge	0.143	0.025	0.025
Number of reflections	15161	2822	2905
<I/σ(I)>	7.82	15.8	1.5
Completeness [%]	99.7	98.4	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	0.4M KH2PO4, 1.6M NaH2PO4, 0.1M Phosphate Citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K