4ZZA

Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with raffinose, selenomethionine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9805
Spacegroup name	P 21 21 21
Unit cell lengths	55.385, 90.949, 145.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.000 - 2.020
R-factor	0.1706
Rwork	0.169
R-free	0.21040
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.292
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.000		2.100
High resolution limit [Å]	2.020	6.010	2.020
Rmerge	0.089	0.031	0.477
Rmeas	0.118	0.042	0.439
Total number of observations	199614
Number of reflections	92158	3432	14834
<I/σ(I)>	8.67	19.95	3.53
Completeness [%]	98.8	97.3	99
Redundancy	4.1		4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	278	0.1 M Tris pH 8.5, 21% PEG 4000, 1.0 M magnesium chloride