3MVU

Crystal structure of a TenA family transcription regulator (TM1040_3656) from SILICIBACTER SP. TM1040 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97935,0.97882
Spacegroup name	P 42 21 2
Unit cell lengths	65.315, 65.315, 107.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.210 - 1.800
R-factor	0.165
Rwork	0.165
R-free	0.17900
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.378
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0059)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.210	29.210	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.065	0.033	0.666
Total number of observations		1600	11519
Number of reflections	22224
<I/σ(I)>	18.1	18.4	1.2
Completeness [%]	99.9	95.7	100
Redundancy	7.1	5.4	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.2000M magnesium acetate, 22.0000% polyethylene glycol 8000, 0.1M sodium cacodylate pH 6.0, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K