2P97

CRYSTAL STRUCTURE OF A PUTATIVE METAL-DEPENDENT HYDROLASE (AVA_3068) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.65 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	2007-02-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97927
Spacegroup name	P 42 21 2
Unit cell lengths	103.320, 103.320, 96.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.488 - 1.650
R-factor	0.162
Rwork	0.160
R-free	0.18900
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.664
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.488		1.710
High resolution limit [Å]	1.650	2.820	1.650
Rmerge	0.052	0.034	0.626
Number of reflections	63319
<I/σ(I)>	14.57	30.9	2.3
Completeness [%]	96.4	99.4	88.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 15.8% PEG 3350, 0.186M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	5	293	NANODROP, 20.0% PEG 3350, 0.2M Magnesium nitrate, 0.1M MES pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K