3NNR

Crystal structure of a TetR-family transcriptional regulator (Maqu_3571) from MARINOBACTER AQUAEOLEI VT8 at 2.49 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	2010-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97934,0.97922
Spacegroup name	P 43 21 2
Unit cell lengths	58.745, 58.745, 172.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.930 - 2.490
R-factor	0.232
Rwork	0.230
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.644
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.930
High resolution limit [Å]	2.490	2.490
Number of reflections	11338
<I/σ(I)>	16.9	2.1
Completeness [%]	100.0	100
Redundancy	9.1	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9.5	293	0.2000M lithium sulfate, 1.0500M potassium sodium tartrate, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K