2O08

CRYSTAL STRUCTURE OF A PUTATIVE HD SUPERFAMILY HYDROLASE (BH1327) FROM BACILLUS HALODURANS AT 1.90 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-10
Detector	ADSC QUANTUM 315
Spacegroup name	C 2 2 21
Unit cell lengths	86.830, 166.510, 73.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.880 - 1.900
R-factor	0.176
Rwork	0.174
R-free	0.22300
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.605
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.880		1.970
High resolution limit [Å]	1.900	3.250	1.900
Rmerge	0.086	0.059	0.518
Number of reflections	41676
<I/σ(I)>	10.48	21.5	2.1
Completeness [%]	93.6	99.4	78.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP		277	0.2M potassium nitrate, 20.0% polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP, NANODROP		277	0.2M potassium nitrate, 20.0% polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K