7EC6

Crystal structure of SdgB (complexed with peptides)

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	43.150, 206.172, 66.400
Unit cell angles	90.00, 105.32, 90.00

Refinement procedure

Resolution	29.040 - 1.900
R-factor	0.231
Rwork	0.229
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ec1
RMSD bond length	0.009
RMSD bond angle	1.546
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	87189	4385
<I/σ(I)>	26
Completeness [%]	99.3
Redundancy	4.1
CC(1/2)	0.992	0.776

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 incubated with the 2.45 mM 3-mer SD-repeat peptide and 6.14 mM UDP-GlcNAc