2HKV

CRYSTAL STRUCTURE OF A PUTATIVE MEMBER OF THE DINB FAMILY (EXIG_1237) FROM EXIGUOBACTERIUM SIBIRICUM 255-15 AT 1.70 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97925
Spacegroup name	P 32 2 1
Unit cell lengths	45.020, 45.020, 131.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.094 - 1.700
R-factor	0.18514
Rwork	0.181
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.451
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.094	25.100	1.760
High resolution limit [Å]	1.700	2.900	1.700
Rmerge	0.115	0.115	0.970
Number of reflections	17704
<I/σ(I)>	9.58	17	1.99
Completeness [%]	99.8	100	99.8
Redundancy	9.38		7.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	20.0% PEG-3350, 0.2M MgSO4,, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
2	VAPOR DIFFUSION,SITTING DROP,NANODROP		293	20.0% PEG-3350, 0.2M MgSO4,, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K