7EC1

Crystal structure of SdgB (ligand-free form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	42.968, 206.342, 66.329
Unit cell angles	90.00, 105.07, 90.00

Refinement procedure

Resolution	29.280 - 1.850
R-factor	0.2103
Rwork	0.208
R-free	0.25100
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.474
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.850	1.850
Number of reflections	93867	4772
<I/σ(I)>	26.3
Completeness [%]	98.4
Redundancy	3.8
CC(1/2)	0.996	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	0.2 M MgCl2, 0.1 M Tris-HCl (pH 8.5), and 25% (w/v) polyethylene glycol (PEG) 3,350