3WRE

The crystal structure of native HypBA1 from Bifidobacterium longum JCM 1217

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-05
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	75.927, 75.927, 254.031
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.780
Rwork	0.223
R-free	0.27200
Structure solution method	MIR
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.880
High resolution limit [Å]	2.780	2.780
Rmerge	0.068	0.488
Number of reflections	21797
<I/σ(I)>	36.9	6.1
Completeness [%]	97.9	100
Redundancy	7.6	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	295	0.4M ammonium acetate, 18%(w/v) polyethylene glycol 3350, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K