7VFR

GltA N83K mutant 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	39.995, 42.390, 59.605
Unit cell angles	107.05, 102.06, 104.29

Refinement procedure

Resolution	38.290 - 1.560
R-factor	0.1519
Rwork	0.150
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z8f
RMSD bond length	0.010
RMSD bond angle	1.623
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]	54.290	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.076	0.169
Rmeas	0.108	0.239
Rpim	0.076	0.169
Number of reflections	42429	1366
<I/σ(I)>	10.1	2.8
Completeness [%]	86.5
Redundancy	1.6
CC(1/2)	0.940	0.920

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)