3CNX

CRYSTAL STRUCTURE OF A PUTATIVE DEHYDRATASE FROM THE NTF2-LIKE FAMILY (SAV_4671) FROM STREPTOMYCES AVERMITILIS AT 2.10 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	2008-01-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97978
Spacegroup name	P 21 21 2
Unit cell lengths	103.000, 128.750, 44.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.553 - 2.100
R-factor	0.201
Rwork	0.199
R-free	0.23500
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.668
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.553	29.553	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.039	0.014	0.458
Number of reflections	35037	6445	5897
<I/σ(I)>	13.7	42.8	1.9
Completeness [%]	97.4	95.6	94.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.04	293	NANODROP, 34.5% PEG 400, 0.2M Magnesium chloride, 0.1M HEPES pH 7.04, VAPOR DIFFUSION, SITTING DROP, temperature 293K