2HH6

Crystal structure of BH3980 (10176605) from BACILLUS HALODURANS at 2.04 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	2006-05-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979075
Spacegroup name	P 65 2 2
Unit cell lengths	93.540, 93.540, 115.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.984 - 2.040
R-factor	0.22491
Rwork	0.224
R-free	0.23800
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.053
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.984	46.980	2.110
High resolution limit [Å]	2.040	3.480	2.040
Rmerge	0.098	0.050	0.893
Number of reflections	19622
<I/σ(I)>	12.24	29	2.2
Completeness [%]	98.1	99.8	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	8.5	277	2.0M (NH4)2SO4, 0.1M TRIS pH 8.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	8.5	277	2.0M (NH4)2SO4, 0.1M TRIS pH 8.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K