3NPI

Crystal structure of a TetR family regulatory protein (DIP1788) from CORYNEBACTERIUM DIPHTHERIAE at 2.96 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	2010-02-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97959,0.97925
Spacegroup name	P 32 2 1
Unit cell lengths	137.238, 137.238, 54.725
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.713 - 2.960
R-factor	0.2016
Rwork	0.201
R-free	0.22190
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.320
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.713		3.080
High resolution limit [Å]	2.960	6.340	2.970
Rmerge	0.056	0.024	0.743
Rmeas	0.066	0.028	0.863
Total number of observations	93470
Number of reflections	12584	2455	2496
<I/σ(I)>	17.06	45.8	1.8
Completeness [%]	99.7	98.6	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.86	277	1.7100M ammonium sulfate, 10.0000% Dioxane, 0.1M MES pH 6.86, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP