5HZA

Crystal structure of GII.10 P domain in complex with 3-fucosyllactose (3 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	65.710, 78.170, 71.840
Unit cell angles	90.00, 102.30, 90.00

Refinement procedure

Resolution	49.610 - 1.350
R-factor	0.1617
Rwork	0.161
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onu
RMSD bond length	0.006
RMSD bond angle	1.063
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]	49.610	49.612	1.430
High resolution limit [Å]	1.350	4.040	1.350
Rmerge	0.050	0.029	0.344
Number of reflections	142746
<I/σ(I)>	9.84	24.11	2.23
Completeness [%]	91.7	94.4	89.5
Redundancy	2.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	sodium nitrate, bis-tris propane, PEG3350