3HM4

CRYSTAL STRUCTURE OF A CHEMOTAXIS PROTEIN CHEX (DDE_0281) FROM DESULFOVIBRIO DESULFURICANS SUBSP. AT 1.30 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	2009-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97932
Spacegroup name	P 21 21 21
Unit cell lengths	42.362, 73.999, 83.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.864 - 1.300
R-factor	0.139
Rwork	0.138
R-free	0.16500
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.745
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.864	27.864	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.029	0.010	0.525
Number of reflections	64054	12131	12539
<I/σ(I)>	16.9	61	1.7
Completeness [%]	97.0	97.1	94.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	15.0000% Glycerol, 0.1700M NaOAc, 25.5000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K