3ZKK

Structure of the xylo-oligosaccharide specific solute binding protein from Bifidobacterium animalis subsp. lactis Bl-04 in complex with xylotetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-16
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	68.045, 124.049, 61.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.839 - 2.198
R-factor	0.2034
Rwork	0.201
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MOLECULAR REPLACEMENT MODEL FROM PARTIAL MODEL BUILT FROM LOW-RESOLUTION SEMET DATASET.
RMSD bond length	0.007
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	1.500
Number of reflections	27024
<I/σ(I)>	17.7	2.12
Completeness [%]	99.5	97.5
Redundancy	6.6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M TRIS, 47% PEG 400, 5% PEG 1000, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K