5ZV5

P domain of GII.17-2014/15 complexed with A-trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	74.757, 86.742, 95.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.18601
Rwork	0.184
R-free	0.23097
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zus
RMSD bond length	0.008
RMSD bond angle	1.255
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.094	0.191
Number of reflections	36559
<I/σ(I)>	33.2	14.6
Completeness [%]	97.5	82.4
Redundancy	5.3	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	11% (w/v) polyethylene glycol (PEG) 3350, 4%(v/v) Tacsimate (pH7.0)