3ELI

Crystal structure of the AHSA1 (SPO3351) protein from Silicibacter pomeroyi, Northeast Structural Genomics Consortium Target SiR160

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-19
Detector	MAR CCD 165 mm
Wavelength(s)	0.97845
Spacegroup name	P 43 21 2
Unit cell lengths	73.348, 73.348, 91.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 2.800
R-factor	0.217
Rwork	0.217
R-free	0.26500
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.147	0.581
Number of reflections	11776
<I/σ(I)>	21.7	2.2
Completeness [%]	99.9	99.1
Redundancy	13.8	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 100 mM TAPS (pH 9) and 8.64 M potassium acetate. VAPOR DIFFUSION, HANGING DROP.