4ZZE

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

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	2011-10-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.97734
Spacegroup name	P 21 21 21
Unit cell lengths	54.880, 91.330, 142.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.113 - 1.760
R-factor	0.1602
Rwork	0.158
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zza
RMSD bond length	0.005
RMSD bond angle	0.959
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.200		1.810
High resolution limit [Å]	1.760	7.870	1.760
Rmerge	0.082	0.026	0.661
Rmeas	0.098	0.031	0.794
Total number of observations	241213
Number of reflections	71009	821	5173
<I/σ(I)>	10.64	28.13	2.05
Completeness [%]	99.1	87.9	99.3
Redundancy	3.4		3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	278	0.1 M Tris pH 8.5, 25% PEG 4000, 0.8M magnesium chloride