2OZJ

CRYSTAL STRUCTURE OF A CUPIN SUPERFAMILY PROTEIN (DSY2733) FROM DESULFITOBACTERIUM HAFNIENSE DCB-2 AT 1.60 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97941, 0.97917
Spacegroup name	C 2 2 21
Unit cell lengths	40.930, 69.790, 150.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.880 - 1.600
R-factor	0.18374
Rwork	0.182
R-free	0.21269
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.748
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	28.900	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.045	0.023	0.675
Number of reflections	28987
<I/σ(I)>	14.16	39.2	2.1
Completeness [%]	99.3	98.1	97.3
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	NANODROP, 0.25M Sodium chloride, 33.0% 2-methyl-2,4-pentanediol, 0.1M Tris-HCl pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K