7VFQ

Wild type GltA from Bifidobacterium infantis JCM 1222 complexed with lacto-N-tetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	39.138, 84.381, 106.688
Unit cell angles	97.41, 92.25, 89.92

Refinement procedure

Resolution	47.590 - 1.550
R-factor	0.1927
Rwork	0.191
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z8f
RMSD bond length	0.012
RMSD bond angle	1.694
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.590	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.075	0.355
Rmeas	0.106	0.502
Rpim	0.075	0.311
Number of reflections	187561	8372
<I/σ(I)>	5.8	2
Completeness [%]	95.5	85.7
Redundancy	1.8	1.7
CC(1/2)	0.970	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293.15	30% (w/v) PEG MME 550, 10mM ZnSO4, 0.1M MES-NaOH (pH 5.5)