5GUB

Crystal structure of solute-binding protein complexed with sulfate group-free unsaturated chondroitin disaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-19
Detector	RAYONIX MX225HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	79.914, 112.213, 166.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.569 - 1.780
R-factor	0.1756
Rwork	0.174
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y3n
RMSD bond length	0.007
RMSD bond angle	1.065
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.058	0.310
Number of reflections	143362
<I/σ(I)>	21.8
Completeness [%]	99.2
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium chloride, 0.1M MES (pH 6.0), 20% PEG 6000