3PAS

Crystal structure of a TetR family transcription regulator (Maqu_1417) from MARINOBACTER AQUAEOLEI VT8 at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-24
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	67.118, 106.180, 117.408
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.134 - 1.900
R-factor	0.1693
Rwork	0.167
R-free	0.21070
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.456
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.134	29.134	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.063	0.022	0.580
Number of reflections	66710	12700	12888
<I/σ(I)>	10.07	30.6	1.5
Completeness [%]	98.8	98.3	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	40.0% 1,2-propanediol, 0.1M Acetate pH 4.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K