3HZ7

Crystal Structure of the SirA-like protein (DSY4693) from Desulfitobacterium hafniense, Northeast Structural Genomics Consortium Target DhR2A

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	2009-05-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97976
Spacegroup name	P 43 21 2
Unit cell lengths	46.046, 46.046, 82.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.000
R-factor	0.229
Rwork	0.228
R-free	0.25000
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.042	0.236
Number of reflections	11492
<I/σ(I)>	62.7	10.1
Completeness [%]	99.1	96.4
Redundancy	14.3	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 100mM Bis-Tris Propane (pH 7), 40% PEG4k, and 100mM calcium chloride, Microbatch, under oil, temperature 277K