5HZB

Crystal structure of GII.10 P domain in complex with 2-fucosyllactose (2'FL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	65.680, 78.900, 71.070
Unit cell angles	90.00, 102.29, 90.00

Refinement procedure

Resolution	42.808 - 1.553
R-factor	0.1652
Rwork	0.164
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onu
RMSD bond length	0.007
RMSD bond angle	1.089
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.810	44.052	1.650
High resolution limit [Å]	1.550	4.640	1.550
Rmerge	0.034	0.015	0.282
Number of reflections	94121
<I/σ(I)>	15.47	46.67	2.59
Completeness [%]	92.1	95.6	93.9
Redundancy	2.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Sodium Nitrate, Bis-Tris Propane, PEG 3350